George C. Schatz
#27,552
Most Influential Person
American chemist
Why Is George C. Schatz Influential?
(Suggest an Edit or Addition)George C. Schatz is a theoretical chemist, editor-in-chief at the Journal of Physical Chemistry, and the Morrison Professor of Chemistry at Northwestern University. He earned his B.S. from Clarkson College. He completed his post-doctoral work at the Massachusetts Institute of Technology, investigating chemical reaction kinetics.
His research specialty is in the field of reaction dynamics. One of the top theoretical chemists, he has conducted groundbreaking research into the computational modeling of the optical properties of nanoparticles, including how gold and silver nanoparticles absorb light. This work has important clinical implications for the diagnosis of illnesses such as Alzheimer’s Disease, through the use of biosensors.
He credits his success to having had the opportunity to explore multiple fields of inquiry, allowing for a top-down interdisciplinary approach that opens up new possibilities.
Schatz has produced an impressive body of work, with over 900 scientific publications including Quantum Mechanics in Chemistry. He has been honored with the Ahmed Zewail Prize, an international award recognizing contributions to Chemical Physics.
He is a member of the International Academy of Quantum Molecular Science and the National Academy of Sciences. His research work today focuses primarily on nanotechnology and bionanotechnology.
Featured in Top Influential Chemists Today
According to Wikipedia, George Chappell Schatz , the Morrison Professor of Chemistry at Northwestern University, is a theoretical chemist best known for his seminal contributions to the field of reaction dynamics. Born in Watertown, New York, he obtained his B. S. from Clarkson University in 1971 and his Ph.D. from Caltech in 1976 under Aron Kuppermann. Following postdoctoral work at MIT, he joined the Chemistry Department at Northwestern University. Schatz is a member of the Center for Chemistry at the Space-Time Limit.
George C. Schatz's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Papers
- The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment (2003) (8535)
- Photoinduced Conversion of Silver Nanospheres to Nanoprisms (2001) (2870)
- The journal of physical chemistry letters (2009) (1750)
- Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties. (2008) (1668)
- Electromagnetic fields around silver nanoparticles and dimers. (2004) (1612)
- Controlling anisotropic nanoparticle growth through plasmon excitation (2003) (1391)
- What controls the melting properties of DNA-linked gold nanoparticle assemblies? (2000) (1273)
- DNA-programmable nanoparticle crystallization (2008) (1260)
- Localized surface plasmon resonance spectroscopy of single silver nanocubes. (2005) (1216)
- Present and Future of Surface-Enhanced Raman Scattering (2019) (1202)
- Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements. (2008) (969)
- Nanoparticle Superlattice Engineering with DNA (2011) (905)
- A nanoscale optical biosensor: The long range distance dependence of the localized surface plasmon resonance of noble metal nanoparticles (2004) (903)
- Atomistic simulations of nanotube fracture (2002) (868)
- Structural Information from Ion Mobility Measurements: Effects of the Long-Range Potential (1996) (840)
- Localized surface plasmon resonance spectroscopy of single silver triangular nanoprisms. (2006) (796)
- Probing the structure of single-molecule surface-enhanced Raman scattering hot spots. (2008) (770)
- Plasmonic Properties of Copper Nanoparticles Fabricated by Nanosphere Lithography (2007) (714)
- Silver nanoparticle array structures that produce remarkably narrow plasmon lineshapes. (2004) (652)
- Structure-activity relationships in gold nanoparticle dimers and trimers for surface-enhanced Raman spectroscopy. (2010) (648)
- Observation of a quadrupole plasmon mode for a colloidal solution of gold nanoprisms. (2005) (622)
- Lasing action in strongly coupled plasmonic nanocavity arrays. (2013) (602)
- Nanoparticle Optics: The Importance of Radiative Dipole Coupling in Two-Dimensional Nanoparticle Arrays † (2003) (598)
- An accurate electromagnetic theory study of surface enhancement factors for silver, gold, copper, lithium, sodium, aluminum, gallium, indium, zinc, and cadmium (1987) (591)
- Plasmonic materials for surface-enhanced sensing and spectroscopy (2005) (583)
- Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust, generally applicable, double-hybrid functional for thermochemistry and thermochemical kinetics. (2008) (582)
- Covalent functionalization and passivation of exfoliated black phosphorus via aryl diazonium chemistry. (2016) (579)
- The Extinction Spectra of Silver Nanoparticle Arrays: Influence of Array Structure on Plasmon Resonance Wavelength and Width† (2003) (535)
- Electronic structure methods for studying surface-enhanced Raman scattering. (2008) (490)
- Nanosphere Lithography: Effect of the External Dielectric Medium on the Surface Plasmon Resonance Spectrum of a Periodic Array of Silver Nanoparticles (1999) (472)
- Electrodynamics of Noble Metal Nanoparticles and Nanoparticle Clusters (1999) (453)
- Surface plasmon generation and light transmission by isolated nanoholes and arrays of nanoholes in thin metal films. (2005) (451)
- Confined plasmons in nanofabricated single silver particle pairs: experimental observations of strong interparticle interactions. (2005) (441)
- Synthesis and Optical Properties of ``Branched'' Gold Nanocrystals (2004) (436)
- Light-harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks. (2013) (431)
- Distance dependence of plasmon-enhanced photocurrent in dye-sensitized solar cells. (2009) (421)
- Pyridine-Ag20 cluster: a model system for studying surface-enhanced Raman scattering. (2006) (413)
- A comparative analysis of localized and propagating surface plasmon resonance sensors: the binding of concanavalin a to a monosaccharide functionalized self-assembled monolayer. (2004) (408)
- Nanosphere Lithography: Effect of Substrate on the Localized Surface Plasmon Resonance Spectrum of Silver Nanoparticles (2001) (404)
- Electromagnetic mechanism of SERS (2006) (402)
- Methods for describing the electromagnetic properties of silver and gold nanoparticles. (2008) (399)
- Discrete dipole approximation for calculating extinction and Raman intensities for small particles with arbitrary shapes (1995) (396)
- Reversing the size-dependence of surface plasmon resonances (2010) (394)
- Single-Molecule Chemistry with Surface- and Tip-Enhanced Raman Spectroscopy. (2017) (386)
- Designing, fabricating, and imaging Raman hot spots (2006) (386)
- Controlling plasmon line shapes through diffractive coupling in linear arrays of cylindrical nanoparticles fabricated by electron beam lithography. (2005) (384)
- Theoretical Studies of Surface Enhanced Raman Scattering (1984) (372)
- The role of vacancy defects and holes in the fracture of carbon nanotubes (2004) (363)
- Surface plasmon broadening for arbitrary shape nanoparticles: A geometrical probability approach (2003) (363)
- Localized Surface Plasmon Resonance Spectroscopy of Triangular Aluminum Nanoparticles (2008) (352)
- Single-molecule surface-enhanced Raman spectroscopy of crystal violet isotopologues: theory and experiment. (2011) (345)
- Reversible switching of magnetism in thiolate-protected Au25 superatoms. (2009) (338)
- Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions. (2013) (318)
- Computational Studies of the Structure, Behavior upon Heating, and Mechanical Properties of Graphite Oxide (2007) (308)
- Silver nanoparticle array structures that produce giant enhancements in electromagnetic fields (2005) (306)
- Brightening of carbon nanotube photoluminescence through the incorporation of sp3 defects. (2013) (305)
- Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H+H2 (1976) (304)
- Resonance Raman scattering of rhodamine 6G as calculated using time-dependent density functional theory. (2006) (303)
- Real-time tunable lasing from plasmonic nanocavity arrays (2015) (296)
- Multipole plasmon resonances in gold nanorods. (2006) (296)
- Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets (2007) (293)
- Narrow plasmonic/photonic extinction and scattering line shapes for one and two dimensional silver nanoparticle arrays. (2004) (291)
- Nanoscale Optical Biosensor : Short Range Distance Dependence of the Localized Surface Plasmon Resonance of Noble Metal Nanoparticles (284)
- Unraveling the Effects of Size, Composition, and Substrate on the Localized Surface Plasmon Resonance Frequencies of Gold and Silver Nanocubes: A Systematic Single-Particle Approach (2010) (283)
- Structure enhancement factor relationships in single gold nanoantennas by surface-enhanced Raman excitation spectroscopy. (2013) (279)
- Synthesis and Optical Properties of Anisotropic Metal Nanoparticles (2004) (277)
- Quantum Mechanics in Chemistry (1993) (273)
- Nanosphere Lithography: Surface Plasmon Resonance Spectrum of a Periodic Array of Silver Nanoparticles by Ultraviolet−Visible Extinction Spectroscopy and Electrodynamic Modeling (1999) (272)
- Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations (2005) (271)
- Surface-enhanced Raman excitation spectroscopy of a single rhodamine 6G molecule. (2009) (266)
- Localized surface plasmon resonance nanosensor: a high-resolution distance-dependence study using atomic layer deposition. (2005) (263)
- Energy landscapes and function of supramolecular systems (2015) (260)
- Interaction of plasmon and molecular resonances for rhodamine 6G adsorbed on silver nanoparticles. (2007) (256)
- High-performance SERS substrates: Advances and challenges (2013) (256)
- Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. I. Theory (1976) (250)
- Optical properties of metal nanoshells (2004) (250)
- DNA-Linked Metal Nanosphere Materials: Structural Basis for the Optical Properties (2000) (249)
- Theory of Raman scattering by molecules adsorbed on electrode surfaces (1978) (247)
- Plasmonics in the ultraviolet with the poor metals Al, Ga, In, Sn, Tl, Pb, and Bi. (2013) (246)
- Multipolar excitation in triangular nanoprisms. (2005) (239)
- Electromagnetic Mechanism of Surface-enhanced Spectroscopy (2006) (237)
- Surface plasmons at single nanoholes in Au films (2004) (236)
- NWChem: Past, present, and future. (2020) (231)
- Toward plasmonic solar cells: protection of silver nanoparticles via atomic layer deposition of TiO2. (2009) (228)
- Nonlocal optical response of metal nanostructures with arbitrary shape. (2009) (224)
- A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction (1980) (224)
- Localized surface plasmon resonance spectroscopy near molecular resonances. (2006) (223)
- Single-Molecule Tip-Enhanced Raman Spectroscopy (2012) (223)
- Optical Properties of One-, Two-, and Three-Dimensional Arrays of Plasmonic Nanostructures (2016) (221)
- Silver nanoparticles with broad multiband linear optical absorption. (2009) (219)
- From Discrete Electronic States to Plasmons: TDDFT Optical Absorption Properties of Agn(n= 10, 20, 35, 56, 84, 120) Tetrahedral Clusters (2008) (218)
- Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response. (2019) (218)
- The analytical representation of electronic potential-energy surfaces (1989) (204)
- Expanding applications of SERS through versatile nanomaterials engineering. (2017) (201)
- Enabling singlet fission by controlling intramolecular charge transfer in π-stacked covalent terrylenediimide dimers (2016) (201)
- Tailorable plasmonic circular dichroism properties of helical nanoparticle superstructures. (2013) (195)
- Near-field photochemical imaging of noble metal nanostructures. (2005) (187)
- Surface-enhanced raman scattering of pyrazine at the junction between two Ag20 nanoclusters. (2006) (186)
- Exact quantum, quasiclassical, and semiclassical reaction probabilities for the collinear F+H2 → FH+H reaction (1975) (184)
- A Look at the Origin and Magnitude of the Chemical Contribution to the Enhancement Mechanism of Surface-Enhanced Raman Spectroscopy (SERS): Theory and Experiment (2013) (181)
- Synthesis of silver nanodisks using polystyrene mesospheres as templates. (2002) (180)
- Gold nanoparticle dimer plasmonics: finite element method calculations of the electromagnetic enhancement to surface-enhanced Raman spectroscopy (2009) (178)
- Nitrogenase-mimic iron-containing chalcogels for photochemical reduction of dinitrogen to ammonia (2016) (177)
- Controlling the shape, orientation, and linkage of carbon nanotube features with nano affinity templates (2006) (177)
- A surface‐enhanced hyper‐Raman and surface‐enhanced Raman scattering study of trans‐1,2‐bis(4‐pyridyl)ethylene adsorbed onto silver film over nanosphere electrodes. Vibrational assignments: Experiment and theory (1996) (174)
- Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers. (2011) (170)
- Theoretical studies of polyatomic bimolecular reaction dynamics. (1995) (168)
- Observation of multiple vibrational modes in ultrahigh vacuum tip-enhanced Raman spectroscopy combined with molecular-resolution scanning tunneling microscopy. (2012) (165)
- Correlating the Structure, Optical Spectra, and Electrodynamics of Single Silver Nanocubes (2009) (163)
- Journal of Physical Chemistry A: Editorial (2006) (163)
- Nanostructured organic semiconductor films for molecular detection with surface-enhanced Raman spectroscopy. (2017) (160)
- Plasmon-mediated synthesis of silver triangular bipyramids. (2009) (159)
- Tailoring the sensing capabilities of nanohole arrays in gold films with Rayleigh anomaly-surface plasmon polaritons. (2007) (158)
- A surface enhanced hyper‐Raman scattering study of pyridine adsorbed onto silver: Experiment and theory (1988) (157)
- Size-dependence of the enhanced Raman scattering of pyridine adsorbed on Agn (n = 2-8, 20) clusters (2007) (157)
- Modeling the effect of small gaps in surface-enhanced Raman spectroscopy (2012) (156)
- Conformational order in aggregates of conjugated polymers. (2015) (154)
- State-to-state chemistry with fast hydrogen atoms. Reaction and collisional excitation in H + CO2 (1987) (151)
- Quantum mechanical reactive scattering: An accurate three-dimensional calculation (1975) (150)
- Using DNA to Design Plasmonic Metamaterials with Tunable Optical Properties (2020) (148)
- A global H2O potential energy surface for the reaction O(1D)+H2→OH+H (1996) (146)
- Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives. (2005) (145)
- TDDFT studies of absorption and SERS spectra of pyridine interacting with Au20. (2006) (145)
- Electrochemical tuning of silver nanoparticles fabricated by nanosphere lithography. (2005) (144)
- Nanoscale form dictates mesoscale function in plasmonic DNA-nanoparticle superlattices. (2015) (143)
- Plasmonic properties of film over nanowell surfaces fabricated by nanosphere lithography. (2005) (140)
- Quantum reactive scattering using hyperspherical coordinates: Results for H+H2 and Cl+HCl (1988) (140)
- Finite lifetime effects on the polarizability within time-dependent density-functional theory. (2005) (140)
- Rayleigh anomaly-surface plasmon polariton resonances in palladium and gold subwavelength hole arrays. (2009) (137)
- Optical properties of metal nanoparticles and nanoparticle aggregates important in biosensors (2000) (135)
- Correlated optical measurements and plasmon mapping of silver nanorods. (2011) (133)
- Band-edge engineering for controlled multi-modal nanolasing in plasmonic superlattices. (2017) (130)
- A quasiclassical trajectory study of the state-to-state dynamics of atomic hydrogen + water .fwdarw. hydroxyl + molecular hydrogen (1984) (130)
- Self-assembly of ink molecules in dip-pen nanolithography: A diffusion model (2001) (130)
- Singlet Fission via an Excimer-Like Intermediate in 3,6-Bis(thiophen-2-yl)diketopyrrolopyrrole Derivatives. (2016) (129)
- Immobilized nanorod assemblies: fabrication and understanding of large area surface-enhanced Raman spectroscopy substrates. (2013) (129)
- Dispersible gold nanorod dimers with sub-5 nm gaps as local amplifiers for surface-enhanced Raman scattering. (2012) (127)
- Plasmon resonance broadening in small metal particles (1983) (127)
- Simultaneous covalent and noncovalent hybrid polymerizations (2016) (125)
- Synthesis and isolation of {110}-faceted gold bipyramids and rhombic dodecahedra. (2011) (124)
- Large quantum effects in the collinear F+H2-->FH+H reaction (1973) (124)
- On the origin of photoluminescence in silicon nanocrystals: pressure-dependent structural and optical studies. (2012) (124)
- Cell death versus cell survival instructed by supramolecular cohesion of nanostructures (2014) (123)
- Assembly of reconfigurable one-dimensional colloidal superlattices due to a synergy of fundamental nanoscale forces (2012) (121)
- Introduction to plasmonics. (2011) (121)
- Hyper-Rayleigh scattering studies of silver, copper, and platinum nanoparticle suspensions (2002) (121)
- Capillary force in atomic force microscopy. (2004) (120)
- Effect of structural dynamics on charge transfer in DNA hairpins. (2008) (120)
- Carbonization in polyacrylonitrile (PAN) based carbon fibers studied by ReaxFF molecular dynamics simulations. (2012) (120)
- Strong Coupling between Plasmonic Gap Modes and Photonic Lattice Modes in DNA-Assembled Gold Nanocube Arrays. (2015) (119)
- Screening of type I and II drug binding to human cytochrome P450-3A4 in nanodiscs by localized surface plasmon resonance spectroscopy. (2009) (119)
- Journal of Physical Chemistry B: Editorial (2006) (117)
- Quantum Effects in Gas Phase Bimolecular Chemical Reactions (1988) (117)
- Modeling the self-assembly of peptide amphiphiles into fibers using coarse-grained molecular dynamics. (2012) (117)
- Optical properties of nanowire dimers with a spatially nonlocal dielectric function. (2010) (116)
- CO2 Hydrogenation to Formic Acid on Ni(111) (2012) (115)
- Model simulations of DNA denaturation dynamics (2001) (114)
- Hyper-Rayleigh scattering from silver nanoparticles (2002) (113)
- POTENTIAL ENERGY SURFACE AND QUASICLASSICAL TRAJECTORY STUDIES OF THE N(2D)+H2 REACTION (1996) (113)
- Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: a RT-TDDFT/FDTD Approach (2010) (108)
- Ultrafast and nonlinear surface-enhanced Raman spectroscopy. (2016) (108)
- A global A-state potential surface for H2O: Influence of excited states on the O(1D)+H2 reaction (1997) (107)
- Theories of reactive scattering. (2006) (107)
- Carbon nanotube fracture - differences between quantum mechanical mechanisms and those of empirical potentials (2003) (106)
- High-Resolution Distance Dependence Study of Surface-Enhanced Raman Scattering Enabled by Atomic Layer Deposition. (2016) (106)
- Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films. (2017) (106)
- Molecularly Tunable Fluorescent Quantum Defects (2016) (105)
- Theoretical studies of plasmon resonances in one-dimensional nanoparticle chains: narrow lineshapes with tunable widths (2006) (105)
- Resonance surface plasmon spectroscopy: low molecular weight substrate binding to cytochrome p450. (2006) (105)
- Time‐dependent dynamics of methyl iodide photodissociation in the first continuum (1990) (105)
- Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier. (2011) (105)
- A quasiclassical trajectory study of the OH+CO reaction (1991) (105)
- Allosteric transcriptional regulation via changes in the overall topology of the core promoter (2015) (104)
- Ultrahigh-Vacuum Tip-Enhanced Raman Spectroscopy. (2017) (104)
- Mobilities of carbon cluster ions: Critical importance of the molecular attractive potential (1998) (104)
- Structural Engineering in Plasmon Nanolasers. (2017) (104)
- Crystallography, Morphology, Electronic Structure, and Transport in non-Fullerene/non-Indacenodithienothiophene Polymer:Y6 Solar Cells. (2020) (103)
- Anomalous surface diffusion in nanoscale direct deposition processes. (2003) (101)
- Chemical fabrication of heterometallic nanogaps for molecular transport junctions. (2009) (101)
- Plasmon-Coupled Resonance Energy Transfer. (2017) (99)
- Gap structure effects on surface-enhanced Raman scattering intensities for gold gapped rods. (2010) (99)
- Dissociation dynamics of vibrationally excited van der Waals clusters: I2XY → I2+X+Y (X, Y=He, Ne) (1983) (98)
- Surface plasmon standing waves in large-area subwavelength hole arrays. (2005) (98)
- Programmable and reversible plasmon mode engineering (2016) (98)
- Ultralow-threshold, continuous-wave upconverting lasing from subwavelength plasmons (2019) (97)
- Nanoparticle optical properties: Far- and near-field electrodynamic coupling in a chain of silver spherical nanoparticles (2008) (97)
- Solution-phase, triangular ag nanotriangles fabricated by nanosphere lithography. (2005) (96)
- Theoretical studies of the reactions hydrogen atom + methylidyne .fwdarw. carbon + hydrogen and carbon + hydrogen .fwdarw. methylene using an ab initio global ground-state potential surface for methylene (1993) (95)
- Calculating nonlocal optical properties of structures with arbitrary shape (2009) (95)
- Correlating nanorod structure with experimentally measured and theoretically predicted surface plasmon resonance. (2010) (95)
- Plasmonic photonic crystals realized through DNA-programmable assembly (2014) (94)
- Bisboronic Acids for Selective, Physiologically Relevant Direct Glucose Sensing with Surface-Enhanced Raman Spectroscopy. (2016) (93)
- A new potential surface and quasiclassical trajectory study of H+H2O→OH+H2 (2000) (92)
- Using theory and computation to model nanoscale properties (2007) (91)
- A crossed molecular beams study of the O(3P)+H2 reaction: Comparison of excitation function with accurate quantum reactive scattering calculations (2003) (90)
- Shape-selective deposition and assembly of anisotropic nanoparticles. (2014) (90)
- DNA as helical ruler: exciton-coupled circular dichroism in DNA conjugates. (2005) (90)
- The origin of cross section thresholds in H+H2: Why quantum dynamics appears to be more vibrationally adiabatic than classical dynamics (1983) (89)
- A theoretical study of complex formation, isotope effects, and energy partitioning in the atomic oxygen(1D) + molecular hydrogen(D2, HD) reaction (1986) (89)
- LSPR Imaging of Silver Triangular Nanoprisms: Correlating Scattering with Structure Using Electrodynamics for Plasmon Lifetime Analysis (2012) (88)
- Quantum and quasiclassical calculations on the OH+CO→CO2+H reaction (1993) (88)
- Light-Driven Expansion of Spiropyran Hydrogels. (2020) (87)
- Dynamical resonances in collinear, coplanar, and three-dimensional quantum mechanical reactive scattering (1975) (87)
- A quasiclassical trajectory study of reagent vibrational excitation effects in the OH+H2→H2O+H reaction (1981) (87)
- Supramolecular–covalent hybrid polymers for light-activated mechanical actuation (2020) (86)
- Franck–Condon factors in studies of dynamics of chemical reactions. I. General theory, application to collinear atom–diatom reactions (1977) (85)
- Role of direct and resonant (compound state) processes and of their interferences in the quantum dynamics of the collinear H + H2 exchange reaction (1973) (84)
- Importance of Intersystem Crossing in the S(3P, 1D) + H2 → SH + H Reaction† (2004) (83)
- Quantum dynamics of a planar model for the complex forming OH+CO→H+CO2 reaction (1995) (83)
- Using nanoscale and mesoscale anisotropy to engineer the optical response of three-dimensional plasmonic metamaterials. (2014) (82)
- How narrow can a meniscus be? (2004) (82)
- Kinetic Isotope Effects for the Reactions of Muonic Helium and Muonium with H2 (2011) (82)
- Helicity decoupled quantum dynamics and capture model cross sections and rate constants for O(1D) + H2 → OH + H (1999) (82)
- Closely packed, low reorganization energy π-extended postfullerene acceptors for efficient polymer solar cells (2018) (81)
- A quasiclassical trajectory study of the reaction OH+CO→H+CO2 (2003) (80)
- A quasiclassical trajectory study of H+CO2: Angular and translational distributions, and OH angular momentum alignment (1997) (80)
- Whispering-gallery mode resonators: Surface enhanced Raman scattering without plasmons. (2008) (80)
- Aluminum and Indium Plasmonic Nanoantennas in the Ultraviolet (2014) (79)
- Electrodynamics of nonspherical noble metal nanoparticles and nanoparticle aggregates (2001) (79)
- Surprisingly long-range surface-enhanced Raman scattering (SERS) on Au-Ni multisegmented nanowires. (2009) (78)
- Duplex and hairpin dimer structures for perylene diimide-oligonucleotide conjugates. (2005) (78)
- Scattering Theory and Dynamics: Time-Dependent and Time-Independent Methods (1996) (77)
- Electron-beam mapping of plasmon resonances in electromagnetically interacting gold nanorods (2009) (77)
- Quantitative evaluation of plasmon enhanced Raman scattering from nanoaperture arrays (2007) (77)
- Uniform circular disks with synthetically tailorable diameters: two-dimensional nanoparticles for plasmonics. (2015) (76)
- Induction and Reversal of Myotonic Dystrophy Type 1 Pre-mRNA Splicing Defects by Small Molecules (2013) (76)
- Probing the effect of the H2 rotational state in O(1D)+H2→OH+H: Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study (2000) (75)
- Near-infrared surface-enhanced Raman spectroscopy (NIR-SERS) for the identification of eosin Y: theoretical calculations and evaluation of two different nanoplasmonic substrates. (2012) (75)
- Core-shell triangular bifrustums. (2009) (75)
- Wavelength-Scanned Surface-Enhanced Resonance Raman Excitation Spectroscopy (2008) (75)
- Stretchable Nanolasing from Hybrid Quadrupole Plasmons. (2018) (74)
- Liquid meniscus condensation in dip-pen nanolithography (2002) (74)
- Molecular Dynamics Simulation of DNA-Functionalized Gold Nanoparticles (2009) (73)
- Tailoring DNA structure to increase target hybridization kinetics on surfaces. (2010) (73)
- Structures of DNA-linked nanoparticle aggregates. (2006) (72)
- Mesoscale molecular network formation in amorphous organic materials (2014) (72)
- Electrostatic aggregation and formation of core-shell suprastructures in binary mixtures of charged metal nanoparticles. (2006) (72)
- Confined propagation of covalent chemical reactions on single-walled carbon nanotubes. (2011) (72)
- An abinitio calculation of the rate constant for the OH+H2→H2O+H reaction (1980) (72)
- Transition states and minimum energy pathways for the collapse of carbon nanotubes (2006) (72)
- Exploring the reaction dynamics of nitrogen atoms: A combined crossed beam and theoretical study of N(2D)+D2→ND+D (1999) (72)
- An atomistic-continuum Cosserat rod model of carbon nanotubes (2009) (71)
- Spatial confinement of electromagnetic hot and cold spots in gold nanocubes. (2012) (71)
- Quantum theory of photodetachment spectra of transition states (1990) (70)
- Extraordinary improvement of the graphitic structure of continuous carbon nanofibers templated with double wall carbon nanotubes. (2013) (70)
- Many-body theory of surface-enhanced Raman scattering (2008) (70)
- Understanding the Surfaces of Nanodiamonds (2013) (70)
- Quantum mechanical reactive scattering for planar atom plus diatom systems. I. Theory (1976) (69)
- An analytical representation of the lowest potential energy surface for the reaction O(3P)+HCl(X 1Σ+) → OH(X 2Π)+Cl(2P) (1991) (69)
- What Controls the Optical Properties of DNA-Linked Gold Nanoparticle Assemblies?* (2020) (68)
- Detecting Resonances (2000) (68)
- Quantum scattering study of electronic Coriolis and nonadiabatic coupling effects in O(1D)+H2→OH+H (1999) (68)
- On the importance of incorporating dipole reradiation in the modeling of surface enhanced Raman scattering from spheres. (2009) (68)
- Theoretical studies of intersystem crossing effects in the O(3P, 1D)+H2 reaction (2003) (67)
- A coupled channel study of HN2 unimolecular decay based on a global ab initio potential surface (1991) (67)
- Aluminum Film-Over-Nanosphere Substrates for Deep-UV Surface-Enhanced Resonance Raman Spectroscopy. (2016) (66)
- Ab initio and semiempirical molecular orbital studies of surface enhanced and bulk hyper‐Raman scattering from pyridine (1992) (65)
- A three dimensional reactive scattering study of the photodetachment spectrum of ClHCl (1989) (65)
- Image field theory of enhanced Raman scattering by molecules adsorbed on metal surfaces: Detailed comparison with experimental results (1980) (65)
- Superlattice Plasmons in Hierarchical Au Nanoparticle Arrays (2015) (64)
- What controls the hybridization thermodynamics of spherical nucleic acids? (2015) (64)
- Plasmon-sampled surface-enhanced raman excitation spectroscopy on silver immobilized nanorod assemblies and optimization for near infrared (λex = 1064 nm) studies (2013) (64)
- A coupled states distorted wave study of the O(3P)+H2 (D2, HD, DH) reaction (1985) (64)
- Significant nonadiabatic effects in the S(1D) + HD reaction. (2007) (64)
- Evaluating Single-Molecule Stokes and Anti-Stokes SERS for Nanoscale Thermometry (2015) (64)
- Synthesis, linear extinction, and preliminary resonant hyper-Rayleigh scattering studies of gold-core/silver-shell nanoparticles: comparisons of theory and experiment (2002) (64)
- Resonance vibrational Raman optical activity: a time-dependent density functional theory approach. (2007) (64)
- Nanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. (2016) (64)
- Electronic excitations and spectra in single-stranded DNA. (2008) (63)
- Theoretical studies of intersystem crossing effects in the O+H2 reaction (2000) (63)
- Quantum wave packet and quasiclassical trajectory studies of OH+CO: influence of the reactant channel well on thermal rate constants. (2004) (63)
- CO2 hydrogenation to formic acid on Ni(110) (2012) (62)
- Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling. (2017) (62)
- Plasmonic Surface Lattice Resonances: Theory and Computation. (2019) (61)
- Influence of Surfactant Bilayers on the Refractive Index Sensitivity and Catalytic Properties of Anisotropic Gold Nanoparticles. (2016) (61)
- Hydrophobic dimerization and thermal dissociation of perylenediimide-linked DNA hairpins. (2009) (61)
- Trajectory surface hopping study of the O(3P) + ethylene reaction dynamics. (2008) (61)
- Phase diagram for assembly of biologically-active peptide amphiphiles. (2008) (61)
- A local interpolation scheme using no derivatives in quantum-chemical calculations (1999) (61)
- Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers. (2004) (61)
- Liquid plasmonics: manipulating surface plasmon polaritons via phase transitions. (2012) (60)
- The role of surface roughness in surface enhanced raman spectroscopy (SERS): the importance of multiple plasmon resonances (1981) (60)
- Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors (2004) (60)
- Reduced-dimensionality quantum calculations of the thermal rate coefficient for the Cl+HCl→ClH+Cl reaction: Comparison with centrifugal-sudden distorted wave, coupled channel hyperspherical, and experimental results (1990) (60)
- A surface enhanced resonance Raman study of cobalt phthalocyanine on rough Ag films: Theory and experiment (1987) (60)
- Abnormally large plasmonic shifts in silica-protected gold triangular nanoprisms (2010) (60)
- Confining standing waves in optical corrals. (2009) (60)
- Capillary force on a nanoscale tip in dip-pen nanolithography. (2003) (59)
- Self-assembly and photopolymerization of sub-2 nm one-dimensional organic nanostructures on graphene. (2012) (59)
- Steered molecular dynamics studies of the potential of mean force of a Na+ or K+ ion in a cyclic peptide nanotube. (2006) (59)
- Using DNA to Link Gold Nanoparticles, Polymers and Molecules: a Theoretical Perspective. (2010) (59)
- Semiclassical vibrational eigenvalues of triatomic molecules: Application of the FFT method to SO2, H2O, H+3, and CO2 (1984) (59)
- Conformational control of TT dimerization in DNA conjugates. A molecular dynamics study. (2010) (59)
- QUANTUM WAVE PACKET STUDY OF NONADIABATIC EFFECTS IN O(1D) + H2 OH + H (1999) (59)
- Mechanically activated molecular switch through single-molecule pulling. (2011) (58)
- High-quality optical modes in low-dimensional arrays of nanoparticles: application to random lasers (2004) (58)
- Molecular dynamics studies of ion distributions for DNA duplexes and DNA clusters: salt effects and connection to DNA melting. (2006) (58)
- Structure at polymer interfaces determined by high‐resolution nuclear reaction analysis (1990) (58)
- Surface Plasmon Coupling of Compositionally Heterogeneous Core-Satellite Nanoassemblies. (2013) (58)
- Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules. (2006) (57)
- A Model for Simulating Dynamics of DNA Denaturation (2000) (57)
- Computational Modeling of Plasmon-Enhanced Light Absorption in a Multicomponent Dye Sensitized Solar Cell (2012) (56)
- Modeling self-assembly processes driven by nonbonded interactions in soft materials. (2008) (56)
- Global potential energy surfaces for the lowest 1A’, 3A‘, and 1A‘ states of HNO (1995) (56)
- Optical properties of responsive hybrid au@polymer nanoparticles. (2012) (56)
- A comparative study of the reaction dynamics of several potential energy surfaces of O(3P)+H2→OH+H. I (1981) (56)
- Extending SERS into the infrared with gold nanosphere dimers. (2011) (56)
- Modeling Singlet Fission in Rylene and Diketopyrrolopyrrole Derivatives: The Role of the Charge Transfer State in Superexchange and Excimer Formation (2017) (55)
- Hydrophobically-Driven Self-Assembly: A Geometric Packing Analysis (2003) (55)
- Interaction between DNAs on a Gold Surface (2009) (55)
- Observation of highly energetic collisions in classical trajectory studies of collisional energy transfer (1990) (54)
- A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations. (2013) (54)
- Coupled channel distorted wave calculations for the three‐dimensional H+H2 reaction (1984) (54)
- Reaction dynamics of O(1D)+HD. I. The insertion pathway (1999) (54)
- Surface plasmon-mediated energy transfer in heterogap Au-Ag nanowires. (2008) (54)
- Fundamental Limitations to Plasmonic Hot-Carrier Solar Cells. (2016) (54)
- Raman spectroscopy: The effect of field gradient on SERS (2013) (54)
- Influence of Atomic Fine Structure on Bimolecular Rate Constants: The Cl(2P) + HCl Reaction (1995) (54)
- Identification of parameters through which surface chemistry determines the lifetimes of hot electrons in small Au nanoparticles (2013) (54)
- The rate constants for the H+H2 reaction and its isotopic analogs at low temperatures: Wigner threshold law behavior (1987) (54)
- Theoretical studies of collisional energy transfer in highly excited molecules: Temperature and potential surface dependence of relaxation in He, Ne, Ar + CS2 (1988) (54)
- Automatic potential energy surface generation directly from ab initio calculations using Shepard interpolation: A test calculation for the H2+H system (1997) (54)
- Free-standing bimetallic nanorings and nanoring arrays made by on-wire lithography. (2010) (54)
- Resonance Localized Surface Plasmon Spectroscopy: Sensing Substrate and Inhibitor Binding to Cytochrome P450 (2008) (53)
- Electrostatically-Directed Self-Assembly of Cylindrical Peptide Amphiphile Nanostructures (2004) (53)
- A quasiclassical trajectory study of mode specific reaction dynamics in the Cl+HOD and H+HOD reactions (1993) (53)
- Crossed beams and theoretical studies of the O(3P)+CH4-->H+OCH3 reaction excitation function. (2004) (53)
- Observation of Single Molecule Plasmon-Driven Electron Transfer in Isotopically Edited 4,4'-Bipyridine Gold Nanosphere Oligomers. (2017) (53)
- Size-Dependent Angular Distributions of Low-Energy Photoelectrons Emitted from NaCl Nanoparticles (2007) (53)
- Theoretical Studies of the O( 3 P) + Methane Reaction (2003) (53)
- Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications (2015) (53)
- Introduction to Quantum Mechanics in Chemistry (2000) (52)
- Virtual Issue: Graphene and Functionalized Graphene (2011) (52)
- DNA-based optomechanical molecular motor. (2011) (51)
- Structure of the myotonic dystrophy type 2 RNA and designed small molecules that reduce toxicity. (2014) (51)
- A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD. (2005) (51)
- Classical perturbation theory of good action-angle variables. Applications to semiclassical eigenvalues and to collisional energy transfer in polyatomic molecules (1979) (51)
- Ag-Ag2S Hybrid Nanoprisms: Structural versus Plasmonic Evolution. (2016) (51)
- Theoretical and experimental studies of the reactions between hyperthermal O(3P) and graphite: graphene-based direct dynamics and beam-surface scattering approaches. (2009) (50)
- Ab Initio and RRKM Studies of the Reactions of C, CH, and 1CH2 with Acetylene (1998) (50)
- Experimental-computational study of shear interactions within double-walled carbon nanotube bundles. (2012) (50)
- Coupled potential-energy surfaces and quantum reactive scattering for the Cl(2P) + HCl → ClH + Cl(2P) reaction (1997) (50)
- Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions. (2018) (50)
- Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers. (2013) (50)
- DNA melting in small-molecule-DNA-hybrid dimer structures: experimental characterization and coarse-grained molecular dynamics simulations. (2010) (50)
- Computational electromagnetics of metal nanoparticles and their aggregates (2001) (50)
- Operando Characterization of Iron Phthalocyanine Deactivation During Oxygen Reduction Reaction using Electrochemical Tip-Enhanced Raman Spectroscopy. (2019) (50)
- Mechanisms of Hydrogen-Assisted CO2 Reduction on Nickel. (2017) (49)
- Tunable laser excitation profile of surface enhanced Raman scattering from pyridine adsorbed on a copper electrode surface. Technical report (1980) (49)
- A Quantum State-Resolved Insertion Reaction: O(1D) + H2(J = 0) → OH(2∏, v, N) + H(2S) (2000) (49)
- Probing Molecular-Scale Catalytic Interactions between Oxygen and Cobalt Phthalocyanine Using Tip-Enhanced Raman Spectroscopy. (2018) (49)
- Effect of Cation Rotation on Charge Dynamics in Hybrid Lead Halide Perovskites (2016) (49)
- Hyperthermal Reactions of O(3P) with Alkanes: Observations of Novel Reaction Pathways in Crossed-Beams and Theoretical Studies (2003) (49)
- Nonadiabatic effects in photodissociation dynamics: A quantum mechanical study of ICN photodissociation in the A continuum (1990) (49)
- Theoretical studies of collisional energy transfer in highly excited molecules: The importance of intramolecular vibrational redistribution in successive collision modeling of He+CS2 (1988) (49)
- Reaction dynamics of O(1D)+HD. II. Effects of excited surfaces (1999) (49)
- Finite-difference time-domain studies of light transmission through nanohole structures (2006) (48)
- Fourier transform methods for calculating action variables and semiclassical eigenvalues for coupled oscillator systems (1984) (48)
- Energy transfer-enhanced photocatalytic reduction of protons within quantum dot light-harvesting–catalyst assemblies (2018) (48)
- A program for determining primitive semiclassical eigenvalues for vibrating/rotating nonlinear triatomic molecules (1988) (48)
- Theoretical studies of energy transfer and reaction in H+H2O and H+D2O collisions (1993) (48)
- Radiative effects in plasmonic aluminum and silver nanospheres and nanorods (2015) (48)
- Plasmonic focusing in rod-sheath heteronanostructures. (2009) (48)
- Franck-Condon factors in studies of dynamics of chemical reactions. II. Vibration-rotation distributions in atom-diatom reactions (1977) (48)
- Metal nanoparticle array waveguides: Proposed structures for subwavelength devices (2006) (47)
- A quasiclassical trajectory study of OH rotational excitation in OH+CO collisions using ab initio potential surfaces (1992) (47)
- Triggered release of pharmacophores from [Ni(HAsO₃)]-loaded polymer-caged nanobin enhances pro-apoptotic activity: a combined experimental and theoretical study. (2011) (47)
- Molecular engineering of organic semiconductors enables noble metal-comparable SERS enhancement and sensitivity (2019) (47)
- Arrays of nanoscale lenses for subwavelength optical lithography. (2010) (47)
- Silver-based nanodisk codes. (2010) (47)
- Time-Dependent Theory of the Rate of Photo-induced Electron Transfer (2011) (47)
- Singlet Fission in 9,10-Bis(phenylethynyl)anthracene Thin Films. (2018) (46)
- In Situ Nanoscale Redox Mapping Using Tip-Enhanced Raman Spectroscopy. (2019) (46)
- Test of Variational Transition State Theory and Multidimensional Semiclassical Transmission Coefficient Methods against Accurate Quantal Rate Constants for H + H2/HD, D + H2, and O + H2/D2/HD, Including Intra- and Intermolecular Kinetic Isotope Effects (1986) (46)
- Complex angular momentum analysis of resonance scattering in the Cl+HCl→ClH+Cl reaction (1995) (46)
- DNA-linked metal nanosphere materials: Fourier-transform solutions for the optical response (2000) (46)
- Metamaterials with gradient negative index of refraction. (2007) (46)
- H + CD4 abstraction reaction dynamics: product energy partitioning. (2006) (45)
- Systematic study of antibonding modes in gold nanorod dimers and trimers. (2014) (45)
- Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C12mim][NTf2] (2010) (45)
- Electron donor-acceptor interactions with flanking purines influence the efficiency of thymine photodimerization. (2011) (44)
- Atomic-scale roughness effect on capillary force in atomic force microscopy. (2006) (44)
- The quantum dynamics of H + H2(ν = 1): A coupled states study of cross sections and rate constants (1983) (44)
- Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3p) + D2. (2006) (44)
- Comparison of master equation and trajectory simulation of the relaxation of an ensemble of highly vibrationally excited molecules (1994) (44)
- Fundamental behavior of electric field enhancements in the gaps between closely spaced nanostructures. (2010) (44)
- The evaluation of fitting functions for the representation of an O( 3P)+H2 potential energy surface. I (1981) (43)
- Sharp melting transitions in DNA hybrids without aggregate dissolution: proof of neighboring-duplex cooperativity. (2007) (43)
- Ab initio calculation of the transition-state properties and addition rate constants for H + C/sub 2/H/sub 2/ and selected isotopic analogues (1982) (43)
- Periodic electric field enhancement along gold rods with nanogaps. (2010) (43)
- H + CD4 abstraction reaction dynamics: excitation function and angular distributions. (2006) (43)
- Interplay of LNA and 2'-O-methyl RNA in the structure and thermodynamics of RNA hybrid systems: a molecular dynamics study using the revised AMBER force field and comparison with experimental results. (2014) (43)
- Nanotechnology for Next Generation Solar Cells (2009) (43)
- Surface-Enhanced Raman Spectroscopy Detection of Ricin B Chain in Human Blood (2016) (43)
- Theoretical studies of surface enhanced hyper-Raman spectroscopy: the chemical enhancement mechanism. (2010) (43)
- Propagative Sidewall Alkylcarboxylation that Induces Red-Shifted Near-IR Photoluminescence in Single-Walled Carbon Nanotubes. (2013) (42)
- Near-field polarization effects in molecular-motion-induced photochemical imaging (2008) (42)
- A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H2+OD, HD+OH (1992) (42)
- Quantum and classical studies of the O(3P) + H2(v = 0-3,j = 0) --> OH + H reaction using benchmark potential surfaces. (2004) (42)
- Experimental and theoretical studies of plasmon–molecule interactions (2012) (42)
- Design principles for photonic crystals based on plasmonic nanoparticle superlattices (2018) (42)
- A comparative study of the reaction dynamics of several potential energy surfaces for O(3P)+H2 → OH+H. II. Collinear exact quantum and quasiclassical reaction probabilities (1982) (42)
- A three dimensional quantum reactive scattering study of the I+HI reaction and of the IHI− photodetachment spectrum (1989) (41)
- Adiabatic and non-adiabatic dynamics studies of O(1D)+H2→OH+H (1997) (41)
- Molecular Dynamics Study of the Formation of a Self-Assembled Monolayer on Gold (2011) (41)
- Nanoscale fracture mechanics. (2007) (41)
- Optical near-fields of triangular nanostructures (2007) (41)
- Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment (2015) (41)
- Fluorinating π‐Extended Molecular Acceptors Yields Highly Connected Crystal Structures and Low Reorganization Energies for Efficient Solar Cells (2020) (41)
- Apertureless cantilever-free pen arrays for scanning photochemical printing. (2015) (41)
- On the linear response and scattering of an interacting molecule-metal system. (2009) (41)
- Quantum scattering studies of spin–orbit effects in the Cl(2P)+HCl→ClH+Cl(2P) reaction (1998) (41)
- Quantum nonadiabatic effects in the photodissociation of vibrationally excited CH3I (1991) (40)
- Dynamics of the N(2D) + D2 Reaction from Crossed-Beam and Quasiclassical Trajectory Studies† (2001) (40)
- A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2 (1992) (40)
- Oscillating reactivity and resonances in the three-dimensional Cl+HCl reaction (1988) (40)
- Reaction dynamics calculations for the CN+H2 →HCN+H reaction: Applications of the rotating-bond approximation (1997) (40)
- A quasiclassical trajectory study of the H2+ + H2 → H3+ + H reaction (1985) (40)
- Oxidation and Etching of CVD Diamond by Thermal and Hyperthermal Atomic Oxygen (2010) (40)
- Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences. (2020) (40)
- Multiscale Simulation as a Framework for the Enhanced Design of Nanodiamond-Polyethylenimine-based Gene Delivery. (2012) (40)
- Tunable Excited-State Properties and Dynamics as a Function of Pt-Pt Distance in Pyrazolate-Bridged Pt(II) Dimers. (2016) (40)
- Shape and Size Control of Substrate-Grown Gold Nanoparticles for Surface-Enhanced Raman Spectroscopy Detection of Chemical Analytes (2018) (39)
- Highly Cooperative Behavior of Peptide Nucleic Acid‐Linked DNA‐Modified Gold‐Nanoparticle and Comb‐Polymer Aggregates (2009) (39)
- A Mutation in Histone H2B Represents a New Class of Oncogenic Driver. (2019) (39)
- A semiconducting organic radical cationic host-guest complex. (2012) (39)
- Anisotropic polarizability tensor of a dimer of nanospheres in the vicinity of a plane substrate (2005) (39)
- Nature of noncovalent interactions in catenane supramolecular complexes: calibrating the MM3 force field with ab initio, DFT, and SAPT methods. (2013) (39)
- On the Structure and Stability of Self-Assembled Zwitterionic Peptide Amphiphiles: A Theoretical Study (2004) (39)
- Quasiclassical Trajectory and Transition State Theory Studies of the N(4S) + H2 ↔ NH(X3Σ-) + H Reaction (2002) (39)
- Microscopic origin of the humidity dependence of the adhesion force in atomic force microscopy. (2007) (38)
- Theoretical studies of the O+H2 reaction (1980) (38)
- A reduced dimensionality quantum reactive scattering study of the insertion reaction O(1D)+H2→OH+H (1989) (38)
- Assembly of nanorods into designer superstructures: the role of templating, capillary forces, adhesion, and polymer hydration. (2010) (37)
- On stochastic reductions in molecular collision theory: Projection operator formalism; application to classical and quantum forced oscillator model (1977) (37)
- Cooperative melting in caged dimers with only two DNA duplexes. (2010) (37)
- Experimental and theoretical study of the O+HCl transition state region by photodetachment of OHCl− (1994) (37)
- Contraction and Expansion of Stimuli-Responsive DNA Bonds in Flexible Colloidal Crystals. (2016) (37)
- A quasiclassical trajectory study of product state distributions from the CN+H2→HCN+H reaction (1997) (37)
- The effect of randomly distributed surface bumps on local field enhancements in surface enhanced Raman spectroscopy (1982) (37)
- All-atom numerical studies of self-assembly of zwitterionic peptide amphiphiles (2004) (37)
- An ab initio determination of the rate constant for H2+C2H→H+C2H2 (1982) (37)
- Critical comparison of approximate and accurate quantum-mechanical calculations of rate constants for a model activated reaction in solution (1992) (37)
- Reaction probabilities, resonances, and thermal rate constants for the collinear reactions H + FH and D + FD on a low-barrier surface. Close-coupling and tunneling calculations, variational transition-state theory, and the unified statistical model (1981) (37)
- Collisional energy transfer from highly vibrationally excited SF6 (1993) (36)
- Model for describing plasmon-enhanced lasers that combines rate equations with finite-difference time-domain (2013) (36)
- Angular momentum decoupling approximations in the quantum dynamics of reactive systems (1977) (36)
- A comparative classical-quantum study of the photodissociation of water in the B band (2001) (36)
- Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra. (2012) (36)
- Ion current calculations based on three dimensional Poisson-Nernst-Planck theory for a cyclic peptide nanotube. (2006) (36)
- Synthesis of heterodimeric sphere-prism nanostructures via metastable gold supraspheres. (2007) (36)
- Nearside—farside analysis of angular scattering in elastic, inelastic and reactive molecular collisions (1993) (36)
- Dynamics of heavy + light–heavy atom transfer reactions. The reaction Cl + HCl → ClH + Cl (1987) (36)
- Hyperthermal chemistry in the gas phase and on surfaces: Theoretical studies (2004) (36)
- Rings of single-walled carbon nanotubes: molecular-template directed assembly and Monte Carlo modeling. (2007) (36)
- Optical and electrical properties of inner tubes in outer wall-selectively functionalized double-wall carbon nanotubes (2011) (36)
- Charge Transport across DNA-Based Three-Way Junctions. (2015) (35)
- Highly excited molecules : relaxation, reaction, and structure (1997) (35)
- Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions (1980) (35)
- Trajectory studies of collisional relaxation of highly excited CS2 by H2, CO, HCl, CS2, and CH4 (1992) (35)
- Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid. (2010) (35)
- Optical Properties of Gold Nanospheres (2005) (35)
- Quasiclassical trajectory studies of state-resolved bimolecular reactions. Vibrational distributions in triatomic products (1995) (35)
- Sharp melting in DNA-linked nanostructure systems: thermodynamic models of DNA-linked polymers. (2007) (35)
- Trajectory-surface-hopping study of the Renner-Teller effect in the N(2D) + H2 reaction (2002) (35)
- Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules (1992) (35)
- Quantum Dot-Plasmon Lasing with Controlled Polarization Patterns. (2020) (35)
- Phase space bottlenecks: A comparison of quantum and classical intramolecular dynamics for collinear OCS (1987) (34)
- Unraveling near-field and far-field relationships for 3D SERS substrates--a combined experimental and theoretical analysis. (2016) (34)
- Coupled ab initio potential energy surfaces for the reaction Cl(2P)+HCl→ClH+Cl(2P) (1999) (34)
- A coupled states quantum reactive scattering study of H + D2 → HD + D ATErel(υ = j = 0) = 0.55 eV (1984) (34)
- Manipulating the optical properties of pyramidal nanoparticle arrays. (2006) (34)
- Photoinduced Plasmon-Driven Chemistry in trans-1,2-Bis(4-pyridyl)ethylene Gold Nanosphere Oligomers. (2018) (33)
- Plasmon-coupled resonance energy transfer: A real-time electrodynamics approach. (2017) (33)
- A rod model for three dimensional deformations of single-walled carbon nanotubes (2011) (33)
- Quantum mechanical reactive scattering for planar atomplus H_2 diatom systems. II. Accurate cross sections forH+H_2 (1976) (33)
- Theoretical studies of the O(3P) + ethane reaction (2003) (33)
- Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles. (2016) (33)
- In situ scanning electron microscope peeling to quantify surface energy between multiwalled carbon nanotubes and graphene. (2014) (33)
- A method to correlate optical properties and structures of metallic nanoparticles. (2009) (33)
- Tunnelling in bimolecular collisions (1987) (33)
- Molecular Plasmonics: Chromophore–Plasmon Coupling and Single-Particle Nanosensors (2008) (33)
- Inversion of product selectivity in an enzyme-inspired metallosupramolecular tweezer catalyzed epoxidation reaction. (2009) (33)
- Collective surface plasmon resonance coupling in silver nanoshell arrays (2008) (33)
- In solution SERS sensing using mesoporous silica-coated gold nanorods. (2016) (33)
- Shear and friction between carbon nanotubes in bundles and yarns. (2014) (33)
- Theoretical studies of fast H atom collisions with NO (1985) (32)
- Two-photon excited deep-red and near-infrared emissive organic co-crystals (2020) (32)
- Violation of microscopic reversibility and the use of reverse quais-classical trajectories for calculating reaction cross sections (1974) (32)
- New uniform semiclassical theory of resonance angular scattering for reactive molecular collisions (1995) (32)
- Tunneling currents that increase with molecular elongation. (2011) (32)
- Conical Nanopores for Efficient Ion Pumping and Desalination. (2017) (32)
- Spatially resolved surface enhanced second harmonic generation: Theoretical and experimental evidence for electromagnetic enhancement in the near infrared on a laser microfabricated Pt surface (1989) (32)
- A centrifugal sudden distorted wave study of the Cl + HCl → ClH + Cl reaction: Results for a scaled and fitted ab initio potential energy surface having a noncollinear reaction path (1988) (31)
- Plasmonic superlattices: Hierarchical subwavelength hole arrays (2009) (31)
- Systematic Merging of Nonfullerene Acceptor π-Extension and Tetrafluorination Strategies Affords Polymer Solar Cells with >16% Efficiency. (2021) (31)
- A study of the dynamics of UV laser photolysis of NOCl and NOBr (1982) (31)
- Franck–Condon factors in studies of the dynamics of chemical reactions. III. Analysis of information theory for vibration–rotation distributions and isotopic branching ratios (1977) (31)
- A quantum reactive scattering study of Mu+H2→MuH+H (1985) (31)
- Distance-Dependence of Interparticle Energy Transfer in the Near-Infrared within Electrostatic Assemblies of PbS Quantum Dots. (2017) (31)
- Classical rotational and centrifugal sudden approximations for atom-molecule collisional energy transfer (1980) (31)
- State‐selective studies of T→R, V energy transfer: The H+CO system (1988) (31)
- Chemiluminescence excited by atomic fluorine (1972) (31)
- Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation. (2016) (31)
- Design Considerations for RNA Spherical Nucleic Acids (SNAs) (2016) (31)
- Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state. (2009) (31)
- A comparative study of the reaction dynamics of the O(3P)+H2 → OH+H reaction on several potential energy surfaces. III. Collinear exact quantum transmission coefficient correction to transition state theory (1982) (31)
- Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes (2008) (30)
- Quantum scattering studies of collisional energy transfer from highly excited molecules: Classical/quantum comparisons for collinear He+CS2 (1997) (30)
- A quasiclassical trajectory study of collisional excitation in H+CO (1984) (30)
- The FFT Method for Determining Semiclassical Eigenvalues: Application to Asymmetric Top Rigid Rotors (1986) (30)
- Observation of size-dependent thermalization in CdSe nanocrystals using time-resolved photoluminescence spectroscopy. (2011) (30)
- Influence of transition state resonances on integral cross sections and product rovibrational distributions for the Cl+HCl→ClH+Cl reaction (1991) (30)
- Collisional energy transfer in polyatomic molecules: A study of anharmonicity effects in Kr+CO2 (1979) (30)
- Photovoltaic blend microstructure for high efficiency post-fullerene solar cells. To tilt or not to tilt? (2019) (30)
- Room Temperature Weak-to-Strong Coupling and the Emergence of Collective Emission from Quantum Dots Coupled to Plasmonic Arrays. (2020) (30)
- Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen. (2017) (30)
- Hierarchical Hybridization in Plasmonic Honeycomb Lattices. (2019) (29)
- Conformational control of thymine photodimerization in single-strand and duplex DNA containing locked nucleic acid TT steps. (2010) (29)
- Ring-in-Ring(s) Complexes Exhibiting Tunable Multicolor Photoluminescence. (2020) (29)
- A quasiclassical trajectory study of H+H2O→OH+H2: Angular distributions and OH angular momentum alignment (1998) (29)
- Modeling of Electrodynamic Interactions between Metal Nanoparticles Aggregated by Electrostatic Interactions into Closely-Packed Clusters (2007) (29)
- Enhancing the melting properties of small molecule-DNA hybrids through designed hydrophobic interactions: an experimental-computational study. (2012) (29)
- A square-planar tetracoordinate oxygen-containing Ti₄O₁₇ cluster stabilized by two 1,1'-ferrocenedicarboxylato ligands. (2014) (29)
- Long-range plasmophore rulers. (2013) (29)
- Plasmonic Metallurgy Enabled by DNA (2016) (28)
- Resonances in heavy + light–heavy atom reactions: influence on differential and integral cross-sections and on transition-state photodetachment spectra (1991) (28)
- Probing the Chemistry of Alumina Atomic Layer Deposition Using Operando Surface-Enhanced Raman Spectroscopy (2016) (28)
- Polarized resonance Raman spectrum as a probe of nonadiabatic transitions in photodissociation : a theoretical treatment (1991) (28)
- Anion effects in the scattering of CO2 from the room-temperature ionic liquids [bmim][BF4] and [bmim][Tf2N]: insights from quantum mechanics/molecular mechanics trajectories. (2012) (28)
- Theoretical Studies of the Energetics and Dynamics of Chemical Reactions (1988) (28)
- Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3. (2009) (28)
- Quasiclassical trajectory studies of N+OH, O+NH, and H+NO collisions using global ab initio potential energy surfaces (1995) (28)
- A quasiclassical trajectory study of reactivity and product energy disposal in H+H2O, H+D2O, and H+HOD (2001) (28)
- Variational transition state theory and quasiclassical trajectory studies of the H2+OH→H+H2O reaction and some isotopic variants (2001) (28)
- Electromagnetic Field Enhancement for Wedge-Shaped Metal Nanostructures (2011) (28)
- Adjusting the Metrics of 1-D Helical Gold Nanoparticle Superstructures Using Multivalent Peptide Conjugates. (2015) (28)
- Building Blocks for High-Efficiency Organic Photovoltaics. Interplay of Molecular, Crystal, and Electronic Properties of Post-Fullerene ITIC Ensembles. (2019) (28)
- Eutectic liquid alloys for plasmonics: theory and experiment. (2012) (28)
- Theory of Raman scattering by molecules adsorbed at electrode surfaces. Model calculations for resonance Raman scattering by an adsorbed diatomic (1979) (28)
- A quasiclassical trajectory study of collisional excitation in Li++CO2 (1980) (28)
- The Role of Structural Enthalpy in Spherical Nucleic Acid Hybridization. (2018) (28)
- Single-molecule pulling and the folding of donor-acceptor oligorotaxanes: phenomenology and interpretation. (2009) (28)
- Experimental and theoretical angular and translational energy distributions for the reaction CN+D2→DCN+D (1997) (28)
- Ultrafast Photoluminescence in Quantum-Confined Silicon Nanocrystals Arises from an Amorphous Surface Layer (2014) (28)
- Differential cross sections for fine structure transitions in O(3P2)+Ar collisions (1994) (28)
- Vibrational deactivation on chemically reactive potential surfaces: An exact quantum study of a low barrier collinear model of H + FH, D + FD, H + FD and D + FH (1980) (28)
- Metal oxide nanoparticle growth on graphene via chemical activation with atomic oxygen. (2013) (27)
- Solution-Dispersible Metal Nanorings with Deliberately Controllable Compositions and Architectural Parameters for Tunable Plasmonic Response. (2015) (27)
- How symmetric stretch excitation in a triatomic molecule can be more efficient than asymmetric stretch excitation in enhancing reaction rates in atomic plus triatom reactions (1979) (27)
- The CH+H reaction studied with quantum-mechanical and classical trajectory calculations (2002) (27)
- Trajectory surface-hopping study of methane photodissociation dynamics. (2009) (27)
- Centrifugal-sudden hyperspherical study of Cl + HCl → ClH + Cl reaction dynamics on 'tight-bend' and 'loose-bend' potential energy surfaces (1996) (27)
- Lasing action in periodic arrays of nanoparticles (2015) (27)
- Identification of Dimeric Methylalumina Surface Species during Atomic Layer Deposition Using Operando Surface-Enhanced Raman Spectroscopy. (2017) (27)
- Transition States of chemical reactions. (1993) (27)
- Energy dependence of energy transfer in the collisional relaxation of vibrationally highly excited CS2 (1991) (27)
- Engineering Directionality in Quantum Dot Shell Lasing Using Plasmonic Lattices. (2020) (27)
- Nanotechnology for catalysis and solar energy conversion (2020) (27)
- Optical Properties and Structural Relationships of the Silver Nanoclusters Ag32(SG)19 and Ag15(SG)11 (2017) (26)
- Theoretical investigation of hyperthermal reactions at the gas-liquid interface: O (3P) and squalane. (2007) (26)
- Polarization-Dependent Optical Response in Anisotropic Nanoparticle-DNA Superlattices. (2017) (26)
- SERS Detection of Ricin B-Chain via N-Acetyl-Galactosamine Glycopolymers (2016) (26)
- Free-energy landscape for peptide amphiphile self-assembly: stepwise versus continuous assembly mechanisms. (2013) (26)
- Directional emission from dye-functionalized plasmonic DNA superlattice microcavities (2017) (26)
- Combined linear response quantum mechanics and classical electrodynamics (QM/ED) method for the calculation of surface-enhanced Raman spectra. (2012) (26)
- Growth dynamics for DNA-guided nanoparticle crystallization. (2013) (26)
- The effects of extensive pitting on the mechanical properties of carbon nanotubes (2007) (26)
- A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface (1985) (26)
- A reduced dimension quantum wave packet study of photodissociation dynamics of diatomic molecules on surfaces (1991) (26)
- Exact and truncated Coriolis coupling calculations for the S(1D)+HD reaction employing the ground adiabatic electronic state. (2010) (26)
- Effect of GC base pairs on charge transfer through DNA hairpins: the importance of electrostatic interactions. (2009) (26)
- Mechanistic Insights into Photo-catalyzed H2 Dissociation on Au Clusters. (2020) (26)
- Analysis of TiO2 Atomic Layer Deposition Surface Chemistry and Evidence of Propene Oligomerization Using Surface-Enhanced Raman Spectroscopy. (2018) (26)
- Defect tolerance and the effect of structural inhomogeneity in plasmonic DNA-nanoparticle superlattices (2015) (26)
- Nonlocal Dielectric Effects in Core−Shell Nanowires† (2010) (26)
- A mechanism for the quenching of I* in photodissociation of methyl iodide adsorbed on a MgO surface (1991) (25)
- The importance of anharmonicity on the rates of energy transfer in rare gas/CO2 systems (1978) (25)
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- Structure–Function Relationships for Surface-Enhanced Raman Spectroscopy-Active Plasmonic Paper (2016) (25)
- Stretched Water Is More Reactive (2000) (25)
- Lasing from Finite Plasmonic Nanoparticle Lattices (2020) (25)
- A theoretical study of the NH+NO reaction (1995) (25)
- A coupled channel quantum scattering study of alignment effects in Na( 2P3/2)+He→Na(2P1/2)+He collisions (1989) (25)
- A quasiclassical trajectory study of product energy and angular distributions in OH + H2 (D2) (1994) (25)
- Probing Intermolecular Vibrational Symmetry Breaking in Self-Assembled Monolayers with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. (2017) (25)
- Potential energy surface of the A state of NH{sub 2}, and the role of excited states in the N({sup 2}D) + H{sub 2} reaction. (2000) (24)
- Development and modeling of arsenic-trioxide–loaded thermosensitive liposomes for anticancer drug delivery (2011) (24)
- Molecular dynamics simulation of β-sheet formation in self-assembled peptide amphiphile fibers (2012) (24)
- Conformational Control of Thymine Photodimerization in Purine-Containing Trinucleotides (2011) (24)
- Tests of collinear quasiclassical trajectory transmission coefficient correction to transition state theory (1981) (24)
- Coherent Vibrational Wavepacket Dynamics in Platinum(II) Dimers and Their Implications (2018) (24)
- State-selected reaction of muonium with vibrationally excited H 2 (2012) (24)
- Calculating dipole and quadrupole polarizabilities relevant to surface enhanced Raman spectroscopy (1999) (24)
- Inhibition of Amyloid-β Aggregation by Cobalt(III) Schiff Base Complexes: A Computational and Experimental Approach. (2019) (24)
- An Electrochemical Approach to and the Physical Consequences of Preparing Nanostructures from Gold Nanorods with Smooth Ends. (2008) (24)
- A Quasiclassical trajectory study of collisional excitation in O(3P)+CO2 (1981) (24)
- Tip-Enhanced Raman Excitation Spectroscopy (TERES): Direct Spectral Characterization of the Gap-Mode Plasmon. (2019) (24)
- Bias-Dependent Chemical Enhancement and Nonclassical Stark Effect in Tip-Enhanced Raman Spectromicroscopy of CO-Terminated Ag Tips. (2018) (24)
- Direct measurement of lattice dynamics and optical phonon excitation in semiconductor nanocrystals using femtosecond stimulated Raman spectroscopy. (2013) (24)
- A detailed analysis of the Raman enhancement mechanisms associated with the interaction of a Raman scatterer with a resonant metal cluster: Results for Lin–H2 (1984) (24)
- The generalized cumulant expansion approach to stochastic reductions in molecular collision dynamics: Applications to collisional energy transfer (1977) (24)
- A coupled states calculation of accurate quantum rate constants for H + H2 (1986) (24)
- Introducing Perovskite Solar Cells to Undergraduates. (2015) (24)
- A- to B-form transition in DNA between gold surfaces. (2012) (24)
- Virtual Issue: Plasmon Resonances - A Physical Chemistry Perspective (2011) (23)
- Hollow spherical gold nanoparticle superstructures with tunable diameters and visible to near-infrared extinction. (2014) (23)
- Influence of surface roughness on the pull-off force in atomic force microscopy (2007) (23)
- Reaction of H with highly vibrationally excited water: activated or not? (1999) (23)
- Multireference Ab Initio Study of Ligand Field d–d Transitions in Octahedral Transition-Metal Oxide Clusters (2014) (23)
- A centrifugal sudden distorted wave study of the reaction Cl + HCl → ClH + Cl: product rotational distributions (1986) (23)
- Quantum scattering on coupled ab initio potential energy surfaces for the Cl(2P)+HCl→ClH+Cl(2P) reaction (2000) (23)
- Approximate quantum scattering studies of the CN+H2 reaction (1996) (23)
- Supramolecular Gelation of Rigid Triangular Macrocycles through Rings of Multiple C-H···O Interactions Acting Cooperatively. (2016) (23)
- An analytical fit to an accurate ab initio (1A1) potential surface of H2O (1981) (23)
- Quasiclassical Trajectory Study of Energy and Angular Distributions for the H + CO2 → OH + CO Reaction† (2002) (22)
- Reducing CO2 to CO and H2O on Ni(110): The Influence of Subsurface Hydrogen (2016) (22)
- Plasma-driven solution electrolysis (2021) (22)
- Plasmon resonance broadening in spheroidal metal particles (1983) (22)
- The mechanical properties of single-crystal and ultrananocrystalline diamond: A theoretical study (2005) (22)
- Free energy profile and mechanism of self-assembly of peptide amphiphiles based on a collective assembly coordinate. (2013) (22)
- Modeling O(3P) and Ar scattering from the ionic liquid [emim][NO3] at 5 eV with hybrid QM/MM molecular dynamics. (2010) (22)
- Collisional excitation of CO by 2.3 eV H atoms (1991) (22)
- Effect of structural dynamics and base pair sequence on the nature of excited states in DNA hairpins. (2012) (22)
- Theoretical modeling of voltage effects and the chemical mechanism in surface-enhanced Raman scattering. (2017) (22)
- Theoretical studies of collisional relaxation of highly excited SO2 in an Ar bath (1995) (22)
- Plasmon-Coupled Resonance Energy Transfer II: Exploring the Peaks and Dips in the Electromagnetic Coupling Factor (2018) (22)
- Virtual Issue on Best Practices for Reporting the Properties of Materials and Devices (2016) (21)
- Reactive and inelastic collisions of H atoms with vibrationally excited water molecules (1999) (21)
- Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane. (2004) (21)
- Molecular-Level Engineering of Adhesion in Carbon Nanomaterial Interfaces. (2015) (21)
- A cooperative beads-on-a-string approach to exceptionally stable DNA triplexes. (2006) (21)
- A surface hopping quasiclassical trajectory study of the H2+ + H2 and (H2 + D2)+ systems (1986) (21)
- Coupled plasmonic plasmon/photonic resonance effects in SERS (2006) (21)
- Structural Effects in the Electromagnetic Enhancement Mechanism of Surface-Enhanced Raman Scattering: Dipole Reradiation and Rectangular Symmetry Effects for Nanoparticle Arrays (2012) (21)
- Theoretical studies of vibrational excitation in collisions of O(3P) with H2O(1A1) (1986) (21)
- Near-field spectroscopy of surface plasmons in flat gold nanoparticles. (2007) (21)
- Phase of molecular ink in nanoscale direct deposition processes. (2006) (21)
- Time-dependent density functional methods for Raman spectra in open-shell systems. (2014) (21)
- Crossed-beams and theoretical studies of the O((3)P) + H(2)O --> HO(2) + H reaction excitation function. (2007) (20)
- Extinction spectra of silver nanoparticle arrays (2003) (20)
- Theory of SERS enhancement: general discussion. (2017) (20)
- Time-dependent density functional methods for surface enhanced Raman scattering (SERS) studies (2012) (20)
- A quasiclassical trajectory study of product energy and angular distributions for the OH+D2 reaction (2001) (20)
- Properties and improved space survivability of POSS (polyhedral oligomeric silsesquioxane) polyimides (2004) (20)
- Metastable H+3 formation and decay in the reaction of highly excited H+2 with H2 (1987) (20)
- Nanografting: modeling and simulation. (2006) (20)
- Comparison of quasiclassical and quantum dynamics for resonance scattering in the Cl+HCl→ClH+Cl reaction (1992) (20)
- Physicochemical Trapping of Neurotransmitters in Polymer-Mediated Gold Nanoparticle Aggregates for Surface-Enhanced Raman Spectroscopy. (2019) (20)
- A quasiclassical trajectory study of hydrogen atom + carbon dioxide .fwdarw. hydroxyl + carbon monoxide: bulk reaction dynamics and the effect of van der Waals precursor formation (1991) (20)
- Sequential double excitations from linear-response time-dependent density functional theory. (2016) (19)
- Computational simulations of the interaction of lipid membranes with DNA-functionalized gold nanoparticles. (2011) (19)
- A centrifugal-sudden distorted wave study of the Cl+HCl→ClH+Cl reaction using a tight-bend potential energy surface (1990) (19)
- Ultrafast Dynamics of Lattice Plasmon Lasers. (2019) (19)
- Energies and lifetimes of predissociative states of van der Waals molecules: Self‐consistent field calculations for I2(v)He, I2(v)Ne (1988) (19)
- Modeling super-resolution SERS using a T-matrix method to elucidate molecule-nanoparticle coupling and the origins of localization errors. (2017) (19)
- Substrate effects on surface plasmons in single nanoholes (2007) (19)
- Structures of the Clusters Produced by Laser Desorption of Fullerenes: [2+2] Cycloadducts of Preshrunk Cages (1998) (19)
- SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM (2019) (19)
- Tunable Fluorescence from Dye‐Modified DNA‐Assembled Plasmonic Nanocube Arrays (2019) (19)
- Light‐Responsive Colloidal Crystals Engineered with DNA (2020) (19)
- Photoinduced electron transfer from rail to rung within a self-assembled oligomeric porphyrin ladder. (2010) (19)
- Mie-Resonant Three-Dimensional Metacrystals. (2020) (19)
- Nanoscale fracture of tetrahedral amorphous carbon by molecular dynamics: Flaw size insensitivity (2008) (19)
- Efficient modeling of organic chromophores for entangled two-photon absorption. (2020) (19)
- Influence of spin−orbit effects on chemical reactions: Quantum scattering studies for the Cl(2P) + HCl → ClH + Cl(2P) reaction using coupled ab initio potential energy surfaces (2003) (18)
- Combining micron-size glass spheres with silver nanoparticles to produce extraordinary field enhancements for surface-enhanced raman scattering applications (2006) (18)
- Coplanar and collinear quantum mechanical reactive scattering: The importance of virtual vibrational channels in the H + H2 exchange reaction (1974) (18)
- The product vibrational, rotational, and translational energy distribution for the reaction O(3PJ)+O3→2O2: Breakdown of the spectator bond mechanism (1996) (18)
- Structure and electronic spectra of purine-methyl viologen charge transfer complexes. (2014) (18)
- Energy transfer, stabilization, and dissociation in collisions of helium with highly excited hydroperoxo (1982) (18)
- Time-dependent methods for calculating thermal rate coefficients using flux correlation functions (1992) (18)
- Two-photon and time-resolved fluorescence spectroscopy as probes for structural determination in amyloid-β peptides and aggregates. (2014) (18)
- Inhomogeneous Surface Plasmon Polaritons (2014) (18)
- Time-dependent Hartree—Fock calculations of surface-enhanced Raman intensities. H2 adsorbed on a model Li cluster (1982) (18)
- Size-Dependent Coherent-Phonon Plasmon Modulation and Deformation Characterization in Gold Bipyramids and Nanojavelins (2016) (18)
- Bright NIR-II Photoluminescence in Rod-Shaped Icosahedral Gold Nanoclusters. (2021) (18)
- A charge–dipole interaction model for the frequency-dependent polarizability of silver clusters (2009) (18)
- Perylenediimide-Linked DNA Dumbbells: Long-Distance Electronic Interactions and Hydrophobic Assistance of Base-Pair Melting† (2010) (18)
- The branching ratio between reaction and relaxation in the removal of H2O from its |04〉− vibrational state in collisions with H atoms (2001) (18)
- Modular and Chemically Responsive Oligonucleotide "Bonds" in Nanoparticle Superlattices. (2015) (18)
- Response to “Comment on ‘Silver nanoparticle array structures that produce remarkable narrow plasmon line shapes’ ” [J. Chem. Phys. 120, 10871 (2004)] (2005) (18)
- Computational Investigation of RNA CUG Repeats Responsible for Myotonic Dystrophy 1 (2015) (18)
- Self-Assembled Plasmonic Metamolecules Exhibiting Tunable Magnetic Response at Optical Frequencies (2017) (18)
- Review of plasmon-induced hot-electron dynamics and related SERS chemical effects (2016) (17)
- Incorporation of inhomogeneous ion diffusion coefficients into kinetic lattice grand canonical monte carlo simulations and application to ion current calculations in a simple model ion channel. (2007) (17)
- Computational Modeling of Octahedral Iron Oxide Clusters: Hexaaquairon(III) and Its Dimers (2013) (17)
- Semiclassical nonadiabatic dynamics using a mixed wave-function representation. (2005) (17)
- Spatially defined molecular emitters coupled to plasmonic nanoparticle arrays (2019) (17)
- Erratum: “A new potential surface and quasiclassical trajectory study of H+H2O→OH+H2” [J. Chem. Phys. 113, 3150 (2000)] (2000) (17)
- High-Efficiency Gold Recovery Using Cucurbit[6]uril. (2020) (17)
- Modeling the electron-impact dissociation of methane. (2012) (17)
- X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome. (2015) (17)
- Transient Melting and Recrystallization of Semiconductor Nanocrystals Under Multiple Electron-Hole Pair Excitation. (2017) (17)
- Single-Molecule Charge Transport through Positively Charged Electrostatic Anchors. (2021) (17)
- Erratum: Observation of multiple vibrational modes in ultrahigh vacuum tip-enhanced Raman spectroscopy combined with molecular-resolution scanning tunneling microscopy (Nano Letters (2012) 12:10 (5061-5067) DOI: 10.1021/nl2039925) (2012) (17)
- Quantum reactive scattering studies of the CN + H2 → HCN + H reaction: the role of the non-reactive CN bond (1997) (17)
- Advantages of conical pores for ion pumps (2017) (16)
- Hyperthermal Reactions of O+(4S3/2) with CD4 and CH4: Theory and Experiment† (2004) (16)
- Mechanical properties of ultrananocrystalline diamond prepared in a nitrogen-rich plasma: A theoretical study (2006) (16)
- A new method for determining semiclassical tunneling probabilities in atom–diatom reactions (1980) (16)
- A centrifugal‐sudden distorted‐wave study of isotope effects for the reactions Cl+HCl→ClH+Cl and Cl+DCl→ClD+Cl (1990) (16)
- Ground and excited state electronic spectra of perylenediimide dimers with flexible and rigid geometries in DNA conjugates (2014) (16)
- A Quasiclassical Trajectory Study of H + N2O (ν1, ν2, ν3) (1996) (16)
- Unraveling the Near- and Far-Field Relationship of 2D Surface-Enhanced Raman Spectroscopy Substrates Using Wavelength-Scan Surface-Enhanced Raman Excitation Spectroscopy (2017) (16)
- Hyperthermal oxidation of graphite and diamond. (2012) (16)
- Sharp melting of polymer-DNA hybrids: an associative phase separation approach. (2007) (16)
- Hyperthermal O-atom exchange reaction O2 + CO2 through a CO4 intermediate. (2009) (16)
- Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces. (2015) (16)
- Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor. (2018) (16)
- Coupled wave equations theory of surface-enhanced femtosecond stimulated Raman scattering. (2016) (16)
- Reversible Shape and Plasmon Tuning in Hollow AgAu Nanorods. (2016) (16)
- Peptide amphiphile self-assembly (2017) (16)
- Mixing rules and the Casimir force between composite systems (2011) (15)
- Monte Carlo sampling methods for determining potential energy surfaces using Shepard interpolation. The O(1D)+H2 system (1998) (15)
- Quantum reactive scattering for A+BCD→AB+CD reactions: Coupled channel distorted wave theory (1986) (15)
- Franck–Condon factors in studies of dynamics of chemical reactions. V. Simple construction of quasiadiabatic potential energy surfaces and numerical evaluation of Franck–Condon integrals (1979) (15)
- Interfacial Effects on Nanoscale Wrinkling in Gold-Covered Polystyrene. (2016) (15)
- Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy at 1 MHz Repetition Rates. (2016) (15)
- Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers. (2017) (15)
- An ab initio determination of the rate constant for H+H2CO →H2+HCO (1982) (15)
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- Unusual Insertion Mechanism in the Reaction C(3P) + H2 → CH + H (1996) (15)
- The centrifugal sudden distorted wave method for calculating cross sections for chemical reactions: Angular distributions for Cl + HCl → ClH + Cl (1987) (15)
- Fabrication of Gold Nanosphere Oligomers for Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy (2017) (15)
- Inherent carbonaceous impurities on arc-discharge multiwalled carbon nanotubes and their implications for nanoscale interfaces (2014) (15)
- Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport. (2021) (15)
- Resonance Energy Transfer in Arbitrary Media: Beyond the Point Dipole Approximation (2018) (15)
- How to Make Your Next Paper Scientifically Effective. (2013) (15)
- Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains. (2017) (15)
- O(3P) + CO2 collisions at hyperthermal energies: dynamics of nonreactive scattering, oxygen isotope exchange, and oxygen-atom abstraction. (2012) (15)
- Electric field enhancement and light transmission in cylindrical nanoholes. (2007) (15)
- Collisions of sodium atoms with liquid glycerol: insights into solvation and ionization. (2014) (14)
- Controlling Orientational Order in 1-D Assemblies of Multivalent Triangular Prisms. (2013) (14)
- A quasiclassical trajectory study of the H+HCN→H2+CN reaction dynamics (2000) (14)
- Wrinkles in Polytetrafluoroethylene on Polystyrene: Persistence Lengths and the Effect of Nanoinclusions. (2017) (14)
- Isothermal Titration Calorimetry for the Screening of Aflatoxin B1 Surface-Enhanced Raman Scattering Sensor Affinity Agents. (2018) (14)
- Substituent effects on energetics and crystal morphology modulate singlet fission in 9,10-bis(phenylethynyl)anthracenes. (2019) (14)
- Conformal, Macroscopic Crystalline Nanoparticle Sheets Assembled with DNA (2015) (14)
- Deducing the Adsorption Geometry of Rhodamine 6G from the Surface-Induced Mode Renormalization in Surface-Enhanced Raman Spectroscopy (2018) (14)
- Spatial nonlocality in the calculation of hamaker coefficients (2012) (14)
- Enhancing DNA-Mediated Assemblies of Supramolecular Cage Dimers through Tuning Core Flexibility and DNA Length--A Combined Experimental-Modeling Study. (2015) (14)
- Atomic Layer Deposition Nucleation on Isolated Self-Assembled Monolayer Functional Groups: A Combined DFT and Experimental Study (2019) (13)
- Van der Waals Torque Coupling between Slabs Composed of Planar Arrays of Nanoparticles (2013) (13)
- Electrodynamics in computational chemistry (2005) (13)
- Fluorine Tuning of Morphology, Energy Loss, and Carrier Dynamics in Perylenediimide Polymer Solar Cells (2019) (13)
- Direct dynamics classical trajectory simulations of the O+ + CH4 reaction at hyperthermal energies. (2005) (13)
- A method for determining “good” action-angle variables and semiclassical eigenvalues in nonseparable systems (1978) (13)
- Collision induced dissociation of H+2 and D+2 with H2 using a surface hopping trajectory method (1988) (13)
- Liquid-Phase Beam Pen Lithography. (2016) (13)
- Molecular dynamics study of the role of the spine of hydration in DNA A-tracts in determining nucleosome occupancy. (2012) (13)
- A quasiclassical trajectory study of vibrational predissociation and collisional relaxation in Ar–OCS (1985) (13)
- Simplistic model for the dendritic growth of a monolayer in dip pen nanolithography (2010) (13)
- A quasiclassical trajectory study of angular and internal state distributions in H+H2O and H+D2O at ET=1.4 eV (2001) (13)
- Small Size Limit to Self-Assembled Monolayer Formation on Gold(111) (2011) (13)
- A local interpolation scheme using no derivatives in potential sampling: Application to O(1D) + H2 system (2003) (13)
- Fitting Potential Energy Surfaces (2000) (13)
- Effect of loop distortion on the stability and structural dynamics of DNA hairpin and dumbbell conjugates. (2008) (13)
- Molecular dynamics simulations and electronic excited state properties of a self-assembled peptide amphiphile nanofiber with metalloporphyrin arrays. (2014) (13)
- Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters. (2020) (13)
- Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization. (2020) (13)
- Wave Functions, Density Functionals, and Artificial Intelligence for Materials and Energy Research: Future Prospects and Challenges (2018) (12)
- On the use of mass scaled cluster coordinates to describe polyatomic molecule reaction dynamics: Application to O + CS2 → SO + CS (1981) (12)
- Perspective on “Exchange reactions with activation energy. I. Simple barrier potential for (H, H2)” (2000) (12)
- Tailoring the parameters of nanohole arrays in gold films for sensing applications (2007) (12)
- Quantitative Determination of the Differential Raman Scattering Cross Sections of Glucose by Femtosecond Stimulated Raman Scattering. (2017) (12)
- Collisional energy transfer as a probe of ergodicity in molecular vibrational motions (1979) (12)
- Quantum Mechanical Identification of Quadrupolar Plasmonic Excited States in Silver Nanorods. (2016) (12)
- Quantum initial conditions in quasi-classical trajectory calculations☆ (1973) (12)
- Electronic Structure and Potential Reactivity of Silaaromatic Molecules. (2016) (12)
- Modeling Metal Nanoparticle Optical Properties (2001) (12)
- Interrogating Intracellular Zinc Chemistry with a Long Stokes Shift Zinc Probe ZincBY-4. (2019) (12)
- Deterministic Symmetry Breaking of Plasmonic Nanostructures Enabled by DNA-Programmable Assembly. (2017) (12)
- Connection between Hybrid Functionals and Importance of the Local Density Approximation. (2016) (12)
- Cite with a Sight. (2014) (12)
- Analytical Approaches To Identify Plasmon-like Excited States in Bare and Ligand-Protected Metal Nanoclusters (2020) (12)
- Benchmarking Semiempirical Methods To Compute Electrochemical Formal Potentials. (2018) (12)
- Enhanced polarizability of aromatic molecules placed in the vicinity of silver clusters (2009) (12)
- Modeling DNA-bending in the nucleosome: role of AA periodicity. (2011) (11)
- Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions. (2012) (11)
- Magneto-Optical Response of Cobalt Interacting with Plasmonic Nanoparticle Superlattices. (2016) (11)
- Quasiclassical Trajectory Studies of State to State Collisional Energy Transfer in Polyatomic Molecules (1983) (11)
- Modeling reactive scattering of F(2P) at a liquid squalane interface: a hybrid QM/MM molecular dynamics study. (2009) (11)
- Ion Coordination and Chelation in a Glycolated Polymer Semiconductor: Molecular Dynamics and X-ray Fluorescence Study (2020) (11)
- Plasmon nanolasing with aluminum nanoparticle arrays [Invited] (2019) (11)
- Molecular Dynamics Simulation and Experimental Studies of Gold Nanoparticle Templated HDL-like Nanoparticles for Cholesterol Metabolism Therapeutics. (2017) (11)
- Surface-profile dependence of photon-plasmon-polariton coupling at a corrugated silver surface (1994) (11)
- Energetic and Dynamic Analysis of Transport of Na+ and K+ through a Cyclic Peptide Nanotube in Water and in Lipid Bilayers. (2016) (11)
- The evolution of vibrational phase space during the collisional relaxation of highly excited collinear CS2 (1990) (11)
- Photoinitiated Reaction Dynamics between Aligned Adsorbates on Solid Surfaces: A Theoretical Exploration of the H + CO2 System on LiF(001) (1997) (11)
- RRKM studies of product branching in the NH+NO reaction (1995) (11)
- Mastering the Art of Scientific Publication. (2014) (11)
- Virtual Issue on Metal-Halide Perovskite Nanocrystals—A Bright Future for Optoelectronics (2017) (11)
- Structure and electronic spectra of DNA mini-hairpins with G(n):C(n) stems. (2007) (11)
- All-Atom Molecular Dynamics Simulations of Peptide Amphiphile Assemblies That Spontaneously Form Twisted and Helical Ribbon Structures. (2017) (11)
- Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3P) collisions with ethane. (2009) (11)
- A generalized Langevin equation approach to molecular collision dynamics (1978) (11)
- Reactive Force Field Modeling of Zinc Oxide Nanoparticle Formation (2016) (10)
- A discrete action principle for electrodynamics and the construction of explicit symplectic integrators for linear, non-dispersive media (2009) (10)
- The effect of the magnitude and direction of the dipoles of organic cations on the electronic structure of hybrid halide perovskites. (2019) (10)
- COMPUTATIONAL METHODS FOR POLYATOMIC BIMOLECULAR REACTIONS (1998) (10)
- Stochastic theory of collisional energy transfer: nature of convergence of master equation transition probabilities and moments as a function of cumulant expansion order (1978) (10)
- Multivalent Cation-Induced Actuation of DNA-Mediated Colloidal Superlattices. (2019) (10)
- Domain Separation in Density Functional Theory. (2019) (10)
- QM/MM Study of Photoinduced Reduction of a Tetrahedral Ag20+ Cluster by a Ag Atom (2014) (10)
- Are Transport Models Able To Predict Charge Carrier Mobilities in Organic Semiconductors? (2019) (10)
- New Editor-in-Chief forThe Journal of Physical ChemistryAandB (2005) (10)
- Balancing the Effects of Extinction and Enhancement for Optimal Signal in Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy (2016) (10)
- Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins. (2008) (10)
- FDTD Studies of Metallic Nanoparticle Systems (2009) (10)
- Native Electron Capture Dissociation Maps to Iron-Binding Channels in Horse Spleen Ferritin (2017) (10)
- Hydrophobic Organic Linkers in the Self-Assembly of Small Molecule-DNA Hybrid Dimers: A Computational–Experimental Study of the Role of Linkage Direction in Product Distributions and Stabilities (2014) (10)
- Two quantum mechanical/molecular mechanical coupling schemes appropriate for fracture mechanics studies (2007) (10)
- Ab initio electronic structure calculations of stationary points and barrier heights for the ClHCl and HCl2 systems (1993) (10)
- Coulombic interactions and crystal packing effects in the folding of donor-acceptor oligorotaxanes. (2011) (9)
- Lattice Gas Monte Carlo Simulation of Capillary Forces in Atomic Force Microscopy (2010) (9)
- Analytical potential energy surfaces for ethynyl, acetylene, and vinyl (1984) (9)
- Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl → ClH + Cl(2P) reaction (2005) (9)
- Pressure-Induced Optical Transitions in Metal Nanoclusters. (2020) (9)
- Theoretical calculation of the photo-induced electron transfer rate between a gold atom and a gold cation solvated in CCl4 (2011) (9)
- Unusual mechanisms can dominate reactions at hyperthermal energies: an example from O(3P) + HCl --> ClO + H. (2008) (9)
- Operational Regimes in Picosecond and Femtosecond Pulse-Excited Ultrahigh Vacuum SERS. (2016) (9)
- A Quasiclassical Trajectory Study of the Cl + HCN → HCl + CN Reaction Dynamics. Microscopic Reaction Mechanism of the H(Cl) + HCN → H2(HCl) + CN Reactions† (2001) (9)
- Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy (2017) (9)
- Analytical SERS: general discussion. (2017) (9)
- Overview of Reactive Scattering (1981) (9)
- Enhancing Entangled Two-Photon Absorption for Picosecond Quantum Spectroscopy. (2021) (9)
- Understanding nanoparticle-mediated nucleation pathways of anisotropic nanoparticles (2017) (9)
- The photoluminescence spectral profiles of water-soluble aggregates of PbS quantum dots assembled through reversible metal coordination. (2017) (9)
- Northwestern University Initiative for Teaching NanoSciences (NUITNS): An Approach for Teaching Computational Chemistry to Engineering Undergraduate Students (2011) (9)
- Near-Quantitative Yield for Transfer of Near-Infrared Excitons within Solution-Phase Assemblies of PbS Quantum Dots (2016) (9)
- Defects in DNA: Lessons from Molecular Motor Design (2012) (9)
- Direct dynamics simulations of O(3P) + HCl at hyperthermal collision energies. (2006) (9)
- Dynamical instabilities and structural changes in molecules (1983) (9)
- Long-Range Energy Transfer in Protein Megamolecules. (2018) (9)
- Charge Transport and Thermoelectric Properties of Carbon Sulfide Nanobelts in Single-Molecule Sensors (2019) (8)
- A coupled channel hyperspherical scattering study of the Cl + HCl → ClH + Cl reaction: cumulative and state-selected probabilities, integral cross sections, and product rotational distributions (1994) (8)
- Synthesis and properties of nicked dumbbell and dumbbell DNA conjugates having stilbenedicarboxamide linkers. (2007) (8)
- Optimizing linear polymer affinity agent properties for surface-enhanced Raman scattering detection of aflatoxin B1 (2019) (8)
- Active Plasmonics and Active Chiral Plasmonics through Orientation-Dependent Multipolar Interactions. (2020) (8)
- Source of Bright Near-Infrared Luminescence in Gold Nanoclusters. (2021) (8)
- A three-dimensional quantum reactive scattering study of the I + DI reaction and of the IDI– photodetachment spectrum (1990) (8)
- Semiempirical modeling of electrochemical charge transfer. (2017) (8)
- A quasiclassical trajectory study of final state distributions in collisions of fast H(D) atoms with HF(DF) (1987) (8)
- The formation of highly excited H 3+ in the reaction H2+(v) + H2 → H 3+ + H (1987) (8)
- Dephasing of electromagnetic fields in scattering from an isolated slit in a gold film (2008) (8)
- Quantum Interference and Substantial Properties Tuning in Conjugated Z-Ortho-Regio-Resistive Organic (ZORRO) Junctions. (2019) (8)
- Kinetic lattice grand canonical Monte Carlo simulation for ion current calculations in a model ion channel system. (2007) (8)
- Generating narrow plasmon resonances from silver nanoparticle arrays: influence of array pattern and particle spacing (2004) (8)
- Tunable and broadband plasmonic absorption via dispersible nanoantennas with sub-10 nm gaps. (2013) (8)
- Synthesis and characterization of a plasmonic-semiconductor composite containing rationally designed, optically tunable gold nanorod dimers and anatase TiO2 (2014) (8)
- ACS Virtual Issue on Multicomponent Systems: Absorption, Adsorption, and Diffusion (2018) (8)
- Studying Stimulated Raman Activity in Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy by Varying the Excitation Wavelength. (2017) (8)
- Theoretical Studies of the Erosion of (100) and (111) Diamond Surfaces by Hyperthermal O(3P) (2011) (8)
- Crossed-beams and theoretical studies of hyperthermal reactions of O(3P) with HCl. (2010) (8)
- Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts. (2019) (8)
- New Journals for a New Year (2007) (8)
- Overcoming the Myths of the Review Process and Getting Your Paper Ready for Publication. (2014) (8)
- Model for describing plasmonic nanolasers using Maxwell-Liouville equations with finite-difference time-domain calculations (2017) (8)
- Electron Paramagnetic Resonance of Magnetically Dilute Cupric (3d9, 2D) Ion in Single Crystals of Zinc 3‐Pyridine Sulfonate (1971) (8)
- Vibrational predissociation rates and final state distributions for He-ICl and He-I2 using a computationally simple method (1998) (8)
- Thymine photodimer formation in DNA hairpins. Unusual conformations favor (6 - 4) vs. (2 + 2) adducts. (2014) (8)
- Fracture paths and ultrananocrystalline diamond (2005) (7)
- Tensile Mechanics of α-Helical Polypeptides (2013) (7)
- Design of nanodiamond based drug delivery patch for cancer therapeutics and imaging applications (2010) (7)
- The Image Field Effect: How Important Is It? (1982) (7)
- Non-Fullerene Acceptors with Direct and Indirect Hexa-fluorination Afford >17% Efficiency in Polymer Solar Cells (2022) (7)
- Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials (2008) (7)
- Correction: Plasmonics in the ultraviolet with the poor metals Al, Ga, In, Sn, Tl, Pb, and Bi. (2015) (7)
- Phonon-Driven Oscillatory Plasmonic Excitonic Nanomaterials. (2018) (7)
- Getting your Submission Right and Avoiding Rejection. (2012) (7)
- Radical Cyclic [3]Daisy Chains (2020) (7)
- Effective Medium Theory of DNA-linked Gold Nanoparticle Aggregates: Effect of Aggregate Shape (2000) (7)
- Ultrafast pulse excitation of a metallic nanosystem containing a Kerr nonlinear material (2006) (7)
- Identification of Brillouin Zones by In-Plane Lasing from Light-Cone Surface Lattice Resonances. (2021) (7)
- Ultraviolet Plasmonics: The Poor Metals Al, Ga, In, Sn, Tl, Pb, and Bi (2009) (7)
- Dependence of Plasmon Energies on the Acoustic Normal Modes of Agn (n = 20, 84, and 120) Clusters (2016) (7)
- Wave packet methods for the direct calculation of energy-transfer moments in molecular collisions (1999) (7)
- Finite element method for two-dimensional vibrational wave functions: Theory and application to van der Waals molecules (2001) (7)
- Collisional Excitation of H2O by O-Atom Impact: Classical Dynamics on an Accurate Ab Initio Potential Energy Surface (1981) (7)
- Single‐Molecule Pulling: Phenomenology and Interpretation (2012) (7)
- Journal Impact Factor and the Real Impact of Your Paper. (2015) (7)
- Quantum scattering study of collisional energy transfer in He+NO2: The importance of the vibronic mixing (2000) (7)
- Alpha- and beta-stilbenosides as base-pair surrogates in DNA hairpins. (2006) (7)
- Direct Observation of Modulated Radical Spin States in Metal-Organic Frameworks by Controlled Flexibility. (2022) (7)
- Balancing Charge Transfer and Frenkel Exciton Coupling Leads to Excimer Formation in Molecular Dimers: Implications for Singlet Fission. (2020) (7)
- Plasmon-Driven Chemistry in Ferri-/Ferrocyanide Gold Nanoparticle Oligomers: A SERS Study. (2020) (6)
- Electronic interactions in helical stacked arrays of the modified DNA base pyrrolocytosine. (2012) (6)
- Evaluation of thermal rates for reactions with intermediate wells: Removal of bound state contributions to quantum flux correlation functions (1993) (6)
- Locally coupled open subsystems: A formalism for affordable electronic structure calculations featuring fractional charges and size consistency. (2018) (6)
- Local electric field factors by a combined charge-transfer and point–dipole interaction model (2015) (6)
- Mechanically interlocked pyrene-based photocatalysts (2022) (6)
- A direct method for determining moments of final state distributions in molecular collisions (1978) (6)
- Germanium Fluoride Nanocages as Optically Transparent n-Type Materials and Their Endohedral Metallofullerene Derivatives. (2019) (6)
- Molecular-Scale Mechanistic Investigation of Oxygen Dissociation and Adsorption on Metal Surface-Supported Cobalt Phthalocyanine. (2019) (6)
- ACS Virtual Issue on Deep Eutectic Solvents (2017) (6)
- Conformation of DNA between gold surfaces (2010) (6)
- Kinetic master equation modeling of an artificial protein pump (2016) (6)
- An effective molecular orbital basis selection scheme to calculate resonant frequency-dependent polarizabilities and polarizability derivatives by time-dependent Hartee—Fock theory (1982) (6)
- Understanding Open Access. (2015) (6)
- In the Limelight. (2017) (6)
- Wavelength and Polarization Dependence of Second-Harmonic Responses from Gold Nanocrescent Arrays (2020) (6)
- Mechanisms of Formaldehyde and C2 Formation from Methylene Reacting with CO2 Adsorbed on Ni(110) (2018) (6)
- Programmable Self-Regulation with Wrinkled Hydrogels and Plasmonic Nanoparticle Lattices. (2021) (6)
- Implementation of INDO/SCI with COSMO Implicit Solvation and Benchmarking for Solvatochromic Shifts. (2016) (6)
- Editorial for January 2016 for JPC A/B/C. (2014) (6)
- Strong Coupling Between Plasmons and Molecular Excitons in Metal-Organic Frameworks. (2021) (6)
- Vibrational Probe of Aqueous Electrolytes - The Field is Not Enough. (2020) (6)
- Thermodynamics and Mechanism of a Photocatalyzed Stereoselective [2+2] Cycloaddition on a CdSe Quantum Dot. (2020) (6)
- The Journal of Physical Chemistry. Editorial for January 2012 for JPC A/B/C. (2012) (6)
- Quantum scattering studies of collisional energy transfer from highly excited polyatomic molecules: A bend-stretch model of He + CS2 (1997) (6)
- Alkanethiol Mediated Release of Surface Bound Nanoparticles Fabricated by Nanosphere Lithography (2005) (6)
- Screened multipole electrostatic interactions at the Debye–Hückel level (2004) (5)
- Investigating Narrow Plasmons in Nanoparticle Arrays Fabricated Using Electron Beam Lithography. (2005) (5)
- Erratum: Electron donor-acceptor interactions with flanking purines influence the efficiency of thymine photodimerization (Journal of the American Chemical Society (2011) 133 (20793-20798) DOI: 10.1021/ja205460f) (2012) (5)
- Formulation of the double differential and other cross-sections for the ClHCl− photodetachment process (1997) (5)
- Electromagnetic Theory Calculations for Spheroids: An Accurate Study of the Particle Size Dependence of SERS and Hyper-Raman Enhancements (1984) (5)
- Editorial for January 2016 for JPC A/B/C. (2013) (5)
- Comment on: Time‐dependent Hartree approximation applied to the photodissociation of ICN (1992) (5)
- Localized surface plasmon and molecular resonance: fundamental study and application (2006) (5)
- PCage: Fluorescent Molecular Temples for Binding Sugars in Water. (2021) (5)
- Particle-level engineering of thermal conductivity in matrix-embedded semiconductor nanocrystals. (2012) (5)
- Mechanistic understanding of entanglement and heralding in cascade emitters. (2020) (5)
- Stochastic theory of vibrational energy transfer in collinear atom-diatom collisions: the role of non-markovian effects (1979) (5)
- Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State. (2020) (5)
- Ab initio potential energy surface for IHI−b. Simulation of IHI− photodetachment spectra (1993) (5)
- Osmolytic Co-Solute Perturbing the Surface Enhancement of Halide Ions (2013) (5)
- Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state (2009) (5)
- Hofmeister Effects on Peptide Amphiphile Nanofiber Self-Assembly. (2019) (5)
- Investigating Single-Molecule Fluorescence Spectral Heterogeneity of Rhodamines Using High-Throughput Single-Molecule Spectroscopy. (2021) (5)
- A New High-Profile Journal for Cutting-Edge Research across Physical Chemistry (2010) (5)
- A Quasiclassical Trajectory Study of Product Rotational, Angular, and Projection Distributions in the OH + H2 → H2O + H Reaction (1981) (5)
- THEORETICAL STUDY OF REACTIONS OF HYPERTHERMAL O( 3 P) WITH PERFLUORINATED HYDROCARBONS (2006) (5)
- Nanosphere Optics Lab (2006) (5)
- A further theoretical exploration of the surface-aligned photo-initiated H+CO2 reaction: Surface motion and temperature dependence (1997) (5)
- Theoretical Studies of the O(3P) + C2 Reaction at Hyperthermal Energies (2012) (5)
- Product State Distributions in Chemical Reactions: the Reaction + → +2 (1996) (5)
- Reactive and Nonreactive Quenching of OH(A 2Σ+) in Collisions with H Atoms† (2001) (5)
- Ultrasensitive and towards single molecule SERS: general discussion. (2017) (5)
- Erratum: Conformational control of thymine photodimerization in single-strand and duplex DNA containing locked nucleic acid TT steps (Journal of the American Chemical Society (2010) 132 (12856-12858)) (2010) (5)
- EVALUATION OF RESONANCE CONTRIBUTIONS TO THERMAL REACTION RATES USING QUANTUM FLUX CORRELATION FUNCTIONS (1994) (5)
- Editorial for January 2010 (2010) (5)
- Understanding the Electronic Structure Properties of Bare Silver Clusters as Models for Plasmonic Excitation (2015) (4)
- Editorial for January 2019 for JPC A/B/C. (2011) (4)
- Synthesis and Characterization of Tellurium Catecholates and Their N-Oxide Adducts. (2021) (4)
- Hydrogenation of CO on Ni(110) by Energetic Deuterium (2018) (4)
- Electronic Population Inversion in HCCO/DCCO Products from Hyperthermal Collisions of O((3)P) with HCCH/DCCD. (2013) (4)
- Thermodynamic Determination of Bimetallic Particle Geometry: Suitability of Poorly Miscible Alloys for Surface-Enhanced Raman (2020) (4)
- Free-Energy Profiles for A-/B-DNA Conformational Transitions in Isolated and Aggregated States from All-Atom Molecular Dynamics Simulation. (2018) (4)
- Dynamics Studies of the O(3P) + Ch4, C2H6 and C3H8 Reactions (2004) (4)
- Nanopipette‐based electrochemical SERS platforms: Using electrodeposition to produce versatile and adaptable plasmonic substrates (2020) (4)
- Quantum embedding for material chemistry based on domain separation and open subsystems (2020) (4)
- Reply to "comment on Ultrafast photoluminescence in quantum-confined silicon nanocrystals arises from an amorphous surface Layer" (2015) (4)
- Selective Separation of Hexachloroplatinate(IV) Dianions Based on Exo-Binding with Cucurbit[6]uril. (2021) (4)
- O₂(X³Σg⁻) and O₂(a¹Δg) charge exchange with simple ions. (2014) (4)
- Computational Studies of the Properties of DNA‐Linked Nanomaterials (2012) (4)
- Polariton Dynamics in Two-Dimensional Ruddlesden-Popper Perovskites Strongly Coupled with Plasmonic Lattices. (2022) (4)
- Structure and Dynamics of Electron Injection and Charge Recombination in i-Motif DNA Conjugates. (2017) (4)
- Focusing a beam of light with left-handed metamaterials (2007) (4)
- Light-Driven Ca(2+) Ion Pump: How Does It Work? (2015) (4)
- Know the Difference: Scientific Publications versus Scientific Reports. (2015) (4)
- Ultrafast energy migration in porphyrin-based Metal Organic Frameworks (MOFs) (2013) (4)
- Synthesis and Structure-Activity Characterization of a Single-Site MoO2 Catalytic Center Anchored on Reduced Graphene Oxide. (2021) (4)
- Editorial for January 2008 (2008) (4)
- Erratum: Near-infrared surface-enhanced Raman spectroscopy (NIR-SERS) for the identification of eosin y: Theoretical calculations and evaluation of two different nanoplasmonic substrates (Journal of Physical Chemistry A (2012) 116:48 (11863-11869) DOI: 10.1021/jp3081035) (2014) (4)
- Enhancement and Suppression of Resonance Energy Transfer Near Metal Nanoparticles (2020) (4)
- A theoretical study of deuterium isotope effects in the reactions molecular hydrogen + methyl and atomic hydrogen + methane (2002) (4)
- Broad-band high-gain room temperature photodetectors using semiconductor-metal nanofloret hybrids with wide plasmonic response. (2019) (4)
- Selective Separation of Lithium Chloride by Organogels Containing Strapped Calix[4]pyrroles. (2021) (4)
- Frontiers of Plasmon Enhanced Spectroscopy Volume 2 (2016) (4)
- TRANSpull: computes pulling coupled to transport properties of single molecules. (2011) (4)
- Quasiclassical trajectory studies of H(D)+HF(DF) collisions at 2 eV (1997) (4)
- Plasmonically Enhanced Dye-Sensitized Solar Cells (2013) (4)
- Plasmonic Nanoparticle Lattice Devices for White-Light Lasing. (2021) (4)
- Entangled Photon Resonance Energy Transfer in Arbitrary Media. (2019) (4)
- A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies (2008) (3)
- Dipole Re-Radiation Effects in Surface Enhanced Raman Scattering (2012) (3)
- Rotational Distributions in the Photodetachment of IHI− and in the I + HI Reaction: The Influence of IHI Transition State Resonances (1989) (3)
- Chapter 6:Computational Electrodynamics Methods (2011) (3)
- Highly Stable, Ultrasmall Polymer-Grafted Nanobins (usPGNs) with Stimuli-Responsive Capability. (2018) (3)
- Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin. (2020) (3)
- Time-dependent density functional theory examination of the effects of ligand adsorption on metal nanoparticles (2008) (3)
- Surface Nanophotonics Theory (2011) (3)
- Phonon-induced plasmon-exciton coupling changes probed via oscillation-associated spectra (2019) (3)
- Conformational Effects in the Transport of Glucose through a Cyclic Peptide Nanotube: A Molecular Dynamics Simulation Study. (2018) (3)
- Editorial for January 2009 (2009) (3)
- Tensile Mechanics of alpha-Helical Polypeptides (2013) (3)
- Photophysical implications of ring fusion, linker length, and twisting angle in a series of perylenediimide–thienoacene dimers† †Electronic supplementary information (ESI) available. See DOI: 10.1039/d0sc02862b (2020) (3)
- Dynamics of Highly Excited States in Chemistry: An Overview (1997) (3)
- The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering (1978) (3)
- The Increasing Impact of Multimedia and Social Media in Scientific Publications. (2014) (3)
- Tailoring DNA structure to increase target hybridization kinetics on surfaces (Journal of the American Chemical Society (2010) 132 (10638-10641)) (2010) (3)
- Plasmonic and diffractive coupling in 2D arrays of nanoparticles produced by electron beam lithography (2006) (3)
- Second Linear Response Theory and the Analytic Calculation of Excited-State Properties. (2021) (3)
- Investigation of p-Type Doping in β- and κ-Ga2O3 (2021) (3)
- Modulating the Electron Affinity of Small Bipyridyl Molecules on Single Gold Nanoparticles for Plasmon-Driven Electron Transfer (2021) (3)
- A reference trajectory approach to Langevin equations in gas phase collision dynamics (1980) (3)
- Can Nanocavities Significantly Enhance Resonance Energy Transfer in a Single Donor–Acceptor Pair? (2021) (3)
- Nanosphere Optics Lab Field Simulator (2007) (3)
- Molecular-Level Insight into the Hydroxylated Monomeric VOx/θ-Al2O3(010) and Its Adsorption of Methanol (2019) (3)
- New editor-in-chief for The Journal of Physical Chemistry A and B (2005) (3)
- Erratum: Observation of size-dependent thermalization in CdSe nanocrystals using time-resolved photoluminescence spectroscopy (Physical Review Letters (2011) 107 (177403)) (2011) (3)
- Calculation of Surface‐Enhanced Raman Spectra Including Orientational and Stokes Effects Using TDDFT/Mie Theory QM/ED Method (2014) (3)
- Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C12mim][NTf2] (2011) (2)
- Optical Properties of One-Dimensional Metal Nanostructures (2004) (2)
- Correction to Correlating Nanorod Structure with Experimentally Measured and Theoretically Predicted Surface Plasmon Resonance (2011) (2)
- Computational Nanomaterials Modeling. (2011) (2)
- Orientation dependence of surface enhanced Raman intensities: Results from AB initio calculations (1983) (2)
- Comments on two treatments of symmetry rules in chemical reactions (1983) (2)
- Molecular Insight into the β-Sheet Twist and Related Morphology of Self-Assembled Peptide Amphiphile Ribbons. (2021) (2)
- Orbital Control and Coherent Charge Transport in Transition Metal Platinum(II)–Platinum(II) Lantern Complexes in Molecular Junctions (2020) (2)
- Calculations on the Optical Properties of Layered Metal Nanospheres (2006) (2)
- Identification of the most stable silver cluster ions produced under plasma solution conditions (2021) (2)
- Influence of Surfactant Bilayers and Substrate Immobilization on the Refractive Index Sensitivity of Anisotropic Gold Nanoparticles (2015) (2)
- O 2 ( X 3 Σ g − ) and O 2 ( a 1 Δ g ) charge exchange with simple ions (2014) (2)
- Energetic and Frictional Effects in the Transport of Ions in a Cyclic Peptide Nanotube (2017) (2)
- Silver Nanoparticles with Broad Multi-Band Linear Optical Absorption Supporting Information (2009) (2)
- Multimetallic Nanoparticles on Mirrors for SERS Detection (2021) (2)
- PNP Cyclic Peptide Ion Channel Model (2007) (2)
- Model studies of intersystem crossing effects in the O + H2 reaction (2002) (2)
- Ab initio and Semiempirical Molecular Orbital Studies of Surface Enhanced and Bulk Hyper‐Raman Scattering from Pyridine. (1993) (2)
- DNA structures and excited states (2010) (2)
- Molecular Transport Junctions Created By Self-Contacting Gapped Nanowires. (2016) (2)
- Lasers, Molecules, and Methods. Joseph O. Hirschfelder, Robert E. Wyatt, and Rob D. Coalson, Eds. Wiley-Interscience, New York, 1989. xviii, 1022 pp., illus. $125. Advances in Chemical Physics, vol. 73. Based on a symposium, Los Alamos, NM, July 1986. (1989) (2)
- Empirical Mappings of the Frequency Response of an Electron Ratchet to the Characteristics of the Polymer Transport Layer (2019) (2)
- Quantum scattering theory for collisional energy transfer (2019) (2)
- A contorted nanographene shelter (2021) (2)
- Richard P. Van Duyne (1945–2019) (2019) (2)
- Electrotunable wetting, and micro- and nanofluidics: general discussion. (2017) (2)
- Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage (2009) (2)
- Reaching Out with Physical Chemistry. (2016) (2)
- Controlling orientational order of multivalent prisms in superlattice assemblies (2013) (2)
- Why Did You Accept My Paper? (2014) (2)
- Building Physical Chemistry with BRICKs. (2014) (2)
- What's in a Name? (2014) (2)
- Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. (2021) (2)
- Recent Quantum Scattering Calculations on the H + H2 Reaction and Its Isotopic Counterparts (1986) (2)
- The effect of surface roughness on the extinction spectra and electromagnetic fields around gold nanoparticles (2008) (2)
- Enzymatically Controlled Vacancies in Nanoparticle Crystals. (2016) (2)
- A Direct Trajectory Dynamics Investigation of Fast O+ Alkane Reactions (2004) (2)
- Plasmonic Materials for Surface-Enhanced Sensing and (2005) (2)
- Quasiclassical Trajectory Studies of Four-Atom Reactions (2004) (2)
- Selective Reduction of Niobium(V) Species to Promote Molecular Niobium/Tantalum Separation. (2021) (2)
- International Symposium on Gas Kinetics (8th) Held in Nottingham, England on 15-20 July 1984. Abstracts (1984) (2)
- Controlled Hysteresis of Conductance in Molecular Tunneling Junctions. (2022) (2)
- Modeling Ion Channels Using Poisson–Nernst–Planck Theory as an Integrated Approach To Introducing Nanotechnology Concepts: The PNP Cyclic Peptide Ion Channel Model (2008) (2)
- Ionic Liquids Virtual Special Issue (2011) (1)
- Preface to the special issue dedicated to Professor Richard P. Van Duyne (1945–2019) (2021) (1)
- Multipurpose made colorimetric materials for amines, pH change and metal ion detection (2022) (1)
- A Theoretical Study of the Oriented Reaction HBr·CO2 + hv → OH + CO + Br (1988) (1)
- Understanding the vibrational mode-specific polarization effects in femtosecond Raman-induced Kerr-effect spectroscopy. (2016) (1)
- Comment on "Theory of collisions between an atom and a diatomic molecule in the body-fixed coordinate system" (1979) (1)
- Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles (2011) (1)
- Time‐Dependent Dynamics of Methyl Iodide Photodissociation in the First Continuum. (1990) (1)
- Physical Chemistry in India. (2017) (1)
- A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters (2017) (1)
- Theoretical Characterization of Chemical Reactions of Importance in the Oxidation of Hydrocarbons: Reactions of Acetylene with Hydrogen and Oxygen Atoms (1985) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- Direct Dynamics Simulations of the Reaction O+(4S) + HCN at Hyperthermal Collision Energies† (2010) (1)
- The quantum dynamics of atom plus diatom chemical reactions (1976) (1)
- Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics (2018) (1)
- A QM/MM model for hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers (2003) (1)
- Theoretical studies of chemical reactions: pyrolysis of formaldehyde (1984) (1)
- A rigorous electrodynamic model for periodic structure formation during UV laser-induced metal atom deposition (1995) (1)
- Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function (2013) (1)
- Large-Area, Highly Crystalline DNA-Assembled Metasurfaces Exhibiting Widely Tunable Epsilon-Near-Zero Behavior. (2021) (1)
- Optimized surfaces for second harmonic generation from surface-plasmon polaritons: theory and experiment (1995) (1)
- New Subsections for JPC A/B/C and JPC Letters. (2012) (1)
- Quantum electrodynamics description of localized surface plasmons at a metal nanosphere (2020) (1)
- Cyclophane-based two-dimensional polymer formed by an interfacial click reaction (2022) (1)
- CO[subscript 2] hydrogenation to formic acid on Ni(111) (2011) (1)
- Erratum: A quantum reactive scattering study of Mu+H2→MuH+H [J. Chem. Phys. 83, 3441 (1985)] (1986) (1)
- Nanoparticles and theory (2012) (1)
- Abstraction Reaction Dynamics : Product Energy Partitioning † (1)
- Virtual Issue Celebrating the Life and Career of Millie Dresselhaus (2017) (1)
- Low-Density 2D Superlattices Assembled via Directional DNA Bonding. (2021) (1)
- Structure and dynamics of reactive transition-states - general discussion (1991) (1)
- Single-electron transport in a molecular Hubbard dimer (2021) (1)
- A Surface Enhanced Hyper-Raman Scattering Study of Pyridine Adsorbed onto Silver: Experiment and Theory. (1988) (1)
- CHAPTER 4:Plasmon-enhanced Solar Chemistry: Electrodynamics and Quantum Mechanics (2013) (1)
- Synthesis and Analysis of Silver/Gold Nanoparticles (2017) (1)
- Advancing the frontiers of physical chemistry (2012) (1)
- Ten Reasons Why Peer Review Makes Sense. (2015) (1)
- Electrovariable nanoplasmonics: general discussion. (2017) (1)
- Celebrating Our 120th Anniversary. (2016) (1)
- FDTD/TDSE study on surface-enhanced infrared absorption by metal nanoparticles (2006) (1)
- A new approach to the determination of good action-angle variables for coupled oscillator systems (1983) (1)
- Editorial for January 2018 for JPC A/B/C. (2018) (1)
- Editorial for January 2017 for JPC A/B/C. (2013) (1)
- SERS and the scientific career of Richard P. Van Duyne (1945–2019) (2020) (1)
- New Directions in Biophysical Modeling. (2012) (1)
- Spectroscopy of high vibrational levels of the N-N stretching mode of N-N-16O and N-N-18O (1989) (1)
- The hournal of physical chemistry: Editorial for January 2009 (2009) (1)
- MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate (2010) (1)
- Optics of nanoparticles: Substrate, size and interface effects (2011) (1)
- The competing effects of core rigidity and linker flexibility in the nanoassembly of trivalent small molecule-DNA hybrids (SMDH3s)-a synergistic experimental-modeling study. (2017) (1)
- The JPC Periodic Table. (2019) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- Hierarchically structured bioinspired nanocomposites. (2022) (1)
- An Algorithmic Approach Based on Data Trees and Genetic Algorithms to Understanding Charged and Neutral Metal Nanocluster Growth. (2022) (1)
- Synthesis and Characterization of a Plasmonic − Semiconductor Composite Containing Rationally Designed , Optically Tunable Gold Nanorod Dimers and Anatase TiO 2 (2014) (1)
- Layered Structures of Assembled Imine-Linked Macrocycles and Two-Dimensional Covalent Organic Frameworks Give Rise to Prolonged Exciton Lifetimes (2021) (1)
- Emerging Research Frontiers in Physical Chemistry. (2013) (1)
- Correction: In solution SERS sensing using mesoporous silica-coated gold nanorods. (2016) (1)
- Revealing the Three-Dimensional Orientation and Interplay between Plasmons and Interband Transitions for Single Gold Bipyramids by Photoluminescence Excitation Pattern Imaging (2021) (1)
- Virtual Issue in Memory of Ahmed Zewail. (2016) (0)
- Localized surface plasmon resonance biosensor for substrate binding to cytochrome P450 proteins (2007) (0)
- On the origin of efficient photoluminescence in silicon nanocrystals (2013) (0)
- Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations. (2020) (0)
- Autobiography of George C. Schatz (2009) (0)
- SERS theory: The chemical effect of Rhodamine 6G adsorption on silver surfaces on its Raman spectrum (2017) (0)
- International Year of the Periodic Table from a Physical Chemistry Perspective. (2019) (0)
- Physical Chemistry in India. (2017) (0)
- Engineering Viscoelasticity in Autoregulatory Nanoscale Wrinkling Bilayer Hydrogel Systems: Pressure Sensors and Thermal-Responsive Drug Delivery Systems (2022) (0)
- Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures (2014) (0)
- Semiclassical Nonadiabatic Dynamics Based on (2006) (0)
- Physical Chemistry in India. (2017) (0)
- MOLECULAR-SCALE INTERROGATION OF CATALYTIC INTERACTIONS BETWEEN OXYGEN AND COBALT PHTHALOCYANINE USING ULTRAHIGH VACUUM TIP-ENHANCED RAMAN SPECTROSCOPY (2018) (0)
- What Does "Important New Physical Insights" Mean? Tips for Writing Better Papers. (2017) (0)
- [Illinois] Plasmonics and Its Applications Workshop 2016 (2016) (0)
- Perspective Collections in the Limelight. (2017) (0)
- Ab initio determination of the rate constant for H+H/sub 2/CO. -->. H/sub 2/+HCO (1982) (0)
- The JPCL New Year's Editorial. (2017) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- Molecular Dynamics Studies of Ion Distributions around DNA Duplexes and Duplex Dimers: Salt Effects and the Connection to Cooperative DNA Melting (2002) (0)
- Quantum Chemistry Part II (2004) (0)
- Calculating exciton downconversion rates in Coulombically coupled chromophores (2015) (0)
- Late to the Party: Synthesis and Characterization of Tellurium and Selenium Half-Sandwich Complexes (2021) (0)
- Intersystem crossing effects in reactions of O and S with small molecules (2005) (0)
- Increasing the Impact of Published Work. Introducing ACS LiveSlides (2013) (0)
- HN2and DN2Resonance Spectra: Scattering and Stabilization Calculations (1992) (0)
- Deterministic Symmetry Breaking of Low-Dimensional Plasmonic Nanostructures: Assembly and Plasmonic Response (2018) (0)
- Quantum Mechanics and Electrodynamics Studies of the Optical Properties of Metal Clusters/Nanoparticles (2008) (0)
- An Overview of the Hyperspherical Method for Reactive Scattering (1996) (0)
- DNA nanoparticle assembly enables unprecedented control over photonic crystal fabrication (2015) (0)
- Quantitative Determination of the Di ff erential Raman Scattering Cross Sections of Glucose by Femtosecond Stimulated Raman Scattering (2017) (0)
- Manipulating Two-Photon Absorption of Molecules through Efficient Optimization of Entangled Light. (2022) (0)
- Exact quantum quasiclassical , and semiclassical reaction ' . * probabilities for the collinear F + 0 2 (2002) (0)
- Coherence and Electron Transport in Pi-Stacked Acceptor-Donor-Acceptor Molecular Triads (2019) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Quantum scattering dynamics of spin-orbit effects for the Cl(2^P) + HCl -> ClH + Cl(2^P) reaction at high angular momenta (2005) (0)
- Computational and Experimental Studies of Gold Nanoparticle Templated HDL-Like Nanoparticles for Cholesterol Metabolism (2017) (0)
- PNAS Plus Significance Statements (2018) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
- Ethical responsibilities for authors in the journal of physical chemistry (2007) (0)
- The JPC Periodic Table. (2019) (0)
- Research data for MD Simulations of RNA CUG repeats (2015) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Model atomic oxygen reactions: Detailed experimental and theoretical studies of the reactions of ground-state O(3P) with H2, CH4, CH3CH3, and CH3CH 2CH3 at hyperthermal collision energies (2003) (0)
- Quantum Scattering Studies of Collisional Energy Transfer from Highly Excited Polyatomic Molecules: Collinear He + CS2 at Energies up to 92 kcal/mol (1997) (0)
- Editorial for January 2017 for JPC A/B/C. (2017) (0)
- Electronic Structure Methods for Studying Surface‐Enhanced Raman Scattering (2008) (0)
- Generating Bright Emissive States by Modulating the Bandgap of Monolayer Tungsten Diselenide (2022) (0)
- MURI: Surface-Templated Bio-Inspired Synthesis and Fabrication of Functional Materials (2006) (0)
- Comment on: Silver nanoparticle array structures that produce remarkably narrow plasmon line shapes. Authors' reply (2005) (0)
- In the Limelight. (2017) (0)
- Ab initio calculation of the rate constant for the OH+H/sub 2/. -->. H/sub 2/O+H reaction (1980) (0)
- Introducing Article Transfer from Letters to Regular Articles. (2014) (0)
- Radial deformation of carbon nanotubes in supersonic collisions with a silicon surface (2010) (0)
- Tantalum, easy as Pi: understanding differences in metal–imido bonding towards improving Ta/Nb separations (2022) (0)
- Photo-induced Current through Molecular Junction in the Weak Molecule-Lead Coupling Limit (2018) (0)
- Editorial for January 2018 for JPC A/B/C. (2011) (0)
- PNP Cyclic Peptide Ion Channel (2007) (0)
- Transition state resonances in collinear O(3P) + HCl →OH + Cl (2009) (0)
- Multiple sharp lattice plasmon modes in 2D Au nanoparticle superlattices (2015) (0)
- Chemical and Biological Engineering (2011) (0)
- A Prolific First Five Years (2015) (0)
- Amphiphilic Soft Materials (2011) (0)
- EFRC feature articles (2014) (0)
- International Year of the Periodic Table from a Physical Chemistry Perspective. (2019) (0)
- Finite-difference frequency-domain study of subwavelength lensing in left-handed materials (2006) (0)
- 125th Anniversary of JPC: A Historical Perspective. (2021) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Introducing Viewpoints in The Journal of Physical Chemistry A/B/C. (2015) (0)
- Controlling Conformations of Conjugated Polymers and Small Molecules: The Role of Nonbonded Interactions KEVIN KOHLSTEDT, (2013) (0)
- International Year of the Periodic Table from a Physical Chemistry Perspective. (2019) (0)
- Editorial for January 2011 forJPC A/B/C (2011) (0)
- Quantum scattering studies of spin-orbit effects in the Cl({sup 2}P) + HCl {yields} ClH + Cl({sup 2}P) reaction (1998) (0)
- Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a (2009) (0)
- What Does "Important New Physical Insights" Mean? Tips for Writing Better Papers. (2017) (0)
- Localized Surface Plasmons in Nanoparticles (2020) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Electrodynamics simulations of surface plasmon behavior in metallic nanostructures (2005) (0)
- The Development of Laser Analytical Methods for the Characterization of Solid/Liquid and Solid/High Pressure Gas Interfaces. (1985) (0)
- Evaluation of fitting functions for the representation of an O(/sup 3/P)+H/sub 2/ potential energy surface. I (1981) (0)
- Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization. (2009) (0)
- a-and b-Stilbenosides as base-pair surrogates in DNA hairpins † (2005) (0)
- An Exact Quantum Study of Vibrational Deactivation by Reactive and Nonreactive Collisions in the Collinear Isotopic H + FH Systems. (1976) (0)
- Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission. (2022) (0)
- The Refraction of Surface Plasmon Polaritons (2013) (0)
- Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system (2022) (0)
- Real-time tunable lasing-SI (2015) (0)
- In the Limelight: Perspective Collections on Perovskites. (2017) (0)
- Melting mechanisms of DNA-linked nanocomposite systems (2005) (0)
- Theoretical studies of the O+H/sub 2/ reaction (1980) (0)
- Plasmon-enhanced Solar Chemistry: Electrodynamics and Quantum Mechanics (2013) (0)
- Venkataramani Temperature Magnetic Bistability of Molecules in Homogeneous Solution at Room (2013) (0)
- Crossed‐Beams and Theoretical Studies of Hyperthermal Reactions of O(3P)with HCl and H2O (2011) (0)
- Mechanism of Long-Range Energy Transfer from Quantum Dots to Black Phosphorus (2021) (0)
- Dynamic Control of Photocatalytic Proton Reduction through the Mechanical Actuation of a Hydrogel Host Matrix. (2021) (0)
- Quasiclassical trajectory study of collisional excitation in Li/sup +/+CO/sub 2/ (1980) (0)
- Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions (2020) (0)
- Editorial: New deputy editors for the journal of physical chemistry A, B, and C (2011) (0)
- Nonlinear Optical Effects in Periodic Arrays of Nanoholes in Metallic Films (2007) (0)
- Looking Beyond the First Anniversary. (2011) (0)
- Exploring Novel Surface-Enhanced Raman Scattering Substrates Using Computational Electrodynamics (2007) (0)
- Lifting of Accidental Degeneracy in Molecular Vibrations Probed with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy (2018) (0)
- Plasmon enhanced dye-sensitized solar cells: Current status and multiscale modeling (2010) (0)
- Virtual Issue on New Physical Insights. (2018) (0)
- 78TH PHYSICAL ELECTRONICS CONFERENCE (2018) (0)
- Quasiclassical Trajectory Study of the O(3P) + CO2(1Σg+) Reaction at Hyperthermal Energies. (2021) (0)
- S 1 Supporting Information for Hyperthermal O-Atom Exchange Reaction O 2 + CO 2 through a CO 4 Intermediate (2009) (0)
- Ab initio determination of the rate constant for H/sub 2/+C/sub 2/H. -->. H+C/sub 2/H/sub 2/ (1982) (0)
- Atomic-Scale View of Redox Induced Changes for Monolayer MoOx on α-TiO2(110) with Chemical-State Sensitivity. (2022) (0)
- Chemistry computer center. (1980) (0)
- Non-Adiabatic Dynamics in the O+H2 Reaction: A Timeindependent Quantum Mechanical Study (2004) (0)
- Virtual Issue on New Physical Insights. (2018) (0)
- Fe b 20 13 Single-molecule pulling : phenomenology and interpretation (2013) (0)
- Charge transport through extended molecular wires with strongly correlated electrons (2021) (0)
- Correction to Growth Dynamics for DNA-Guided Nanoparticle Crystallization (2014) (0)
- Survivability of POSS ( Polyhedral Oligomeric Silsesquioxane ) Polyimides (2005) (0)
- Theoretical Studies of Thymine–Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction (2011) (0)
- Molecular Modeling and Electronic Structure Calculations (2017) (0)
- Enhanced Electromagnetic and Chemical/Biological Sensing. Properties of Atomic Cluster-Derived Materials (2003) (0)
- [Illinois] Silver and Gold Nanoparticles: New Directions for Theory (2015) (0)
- Electron Binding Energies in DNA Modified Surfaces: Theory and Experiment (2006) (0)
- A reaction mechanism for plasma electrolysis of AgNO3 forming silver nanoclusters and nanoparticles (2022) (0)
- heoretical calculation of the photo-induced electron transfer rate between a old atom and a gold cation solvated in CCl 4 anning (2011) (0)
- Utilizing Ultraviolet Photons to Generate Single-Photon Emitters in Semiconductor Monolayers (2022) (0)
- Mode-Specific Chemistry in the H + HCN and H + N2O Reactions (1996) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
- Celebrating Our 120th Anniversary. (2016) (0)
- Interfacial engineering of plasmonic nanoparticle metasurfaces (2022) (0)
- DNA-linked nanoparticle materials: optical, electrical, and structural properties (2001) (0)
- Ag-Ag 2 S Hybrid Nanoprisms : Structural vs . Plasmonic Evolution (2019) (0)
- Editorial: 2017 in Perspective. (2018) (0)
- BioProgrammable One, Two, and Three Dimensional Materials (2017) (0)
- Celebrating Our 120th Anniversary. (2016) (0)
- CALCULATED THERMAL AND VIBRATIONALLY EXCITED RATE CONSTANTS FOR $O(^{3}P) + H_{2}, D_{2}$, AND HD (1984) (0)
- Plasmon amplified absorption in dye-sensitized solar cells (2007) (0)
- Design principles for efficient singlet fission in anthracene-based organic semiconductors (2019) (0)
- Theoretical Analysis of Gold Nanoparticles (2009) (0)
- Scattering dynamics of hyperthermal oxygen atoms on a series of ionic liquid surfaces: [C(4)mim][BF4], [C(8)mim][BF4], and [C(12)mim][BF4] (2014) (0)
- Chemistry. Stretched water is more reactive. (2000) (0)
- Localized π Surface States on 2D Molybdenum Disulfide from Carbene-Functionalization as a Qubit Design Strategy (2022) (0)
- Theoretical studies of the O2 + methane, ethane and propane reactions (2004) (0)
- Electronic structure studies of surface-enhanced Raman scattering (2004) (0)
- [Illinois] Surface enhanced spectroscopy and chemistry: theoretical studies (2016) (0)
- Dynamical effective medium model of metal nanosphere aggregates (2000) (0)
- Modern Problems in Classical Electrodynamics. By Charles A. Brau (2005) (0)
- Coupling classical electrodynamics with quantum mechanics for metal particle optical properties (2011) (0)
- Effect of defects on the mechanical properties of carbon nanotubes (2007) (0)
- Colleagues of Bruce C. Garrett. (2016) (0)
- Crossed-Beams and Theoretical Studies of Hyperthermal Reactions of O(<sup>3</sup>P) with HCl† (2022) (0)
- Dynamic tuning of lattice plasmon lasers with long coherence characteristics (2016) (0)
- Editorial for January 2015 for JPC A/B/C. (2013) (0)
- Reorganization of The Journal of Physical Chemistry (2006) (0)
- Designing plasmonic nanoparticle lattices for directional, in-plane lasing (2021) (0)
- Subwavelength Focusing and Guiding of Surface Plasmon Polaritons (2005) (0)
- Selective Separation of Hexachloroplatinate(IV) Dianions Based on Exo‐Binding with Cucurbit[6]uril (2021) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Nanotribology and voltage-controlled friction: general discussion. (2017) (0)
- Virtual Issue in Memory of Ahmed Zewail. (2016) (0)
- Resonances in the Collisional Excitation of Carbon Monoxide by Fast Hydrogen Atoms (1984) (0)
- Relaxation and Chemical Shift Measurements (2020) (0)
- MICROSCOPIC MECHANISMS AND DYNAMICS SIMULATIONS OF O+(4S3/2) REACTING WITH METHANE (2006) (0)
- SCIENCE AND TECHNOLOGY OF ULTRANANOCRYSTALLINE DIAMOND FILMS FOR MULTIFUNCTIONAL MEMS/NEMS DEVICES (2004) (0)
- Test of variational transition-state theory and multidimensional semiclassical transmission coefficient methods against accurate quantal rate constants for H + H/sub 2//HD, D + H/sub 2/, and O + H/sub 2//D/sub 2//HD, including intra- and intermolecular kinetic isotope effects (1986) (0)
- Greg Scholes Takes over as Deputy Editor of JPC Letters. (2016) (0)
- Time delays, phase behavior, and resonances in the collinear H + H$sub 2$ exchange reaction (1972) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
- Hyperthermal Collisions of O+(4S3/2) with Methane at 5 Electron Volts (2006) (0)
- 125th Anniversary of JPC: A Historical Perspective. (2021) (0)
- Assessing MWCNT-graphene surface energy through in situ SEM peeling (2014) (0)
- Optical near-field enhancement around lithographic metallic nanostructures using an azodye polymer: Direct observation and realization of sub-wavelength complex structures (2004) (0)
- PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose (2015) (0)
- JPCL: A Dynamic Journal with a Global Reach. (2019) (0)
- Design principles for nanoparticle based photonic crystals (2018) (0)
- Modeling Plasmonic Optical Properties Using Semiempirical Electronic Structure Calculations (2019) (0)
- Surface enhanced infrared absorption by nanoparticles (2005) (0)
- Editorial for January 2015 for JPC A/B/C. (2015) (0)
- Melting behavior of DNA-linked polymers (2006) (0)
- O2(X3 Sigma- sub g) and O2(a1 Delta sub g) Charge Exchange with Simple Ions (Postprint) (2014) (0)
- Introducing Viewpoints in The Journal of Physical Chemistry A/B/C. (2015) (0)
- Plasmon-coupled Resonance Energy Transfer: Beyond Dipole Approximation (2018) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Mechanical nanolattices printed using nanocluster-based photoresists (2022) (0)
- Emerging Themes in Biophysical Chemistry. (2012) (0)
- Electroactuators: from understanding to micro-robotics and energy conversion: general discussion. (2017) (0)
- Editorial for January 2019 for JPC A/B/C. (2019) (0)
- 3D FDTD modeling of surface plasmons at single nanoholes in metal films (2004) (0)
- Low‐Density 2D Superlattices Assembled via Directional DNA Bonding (2021) (0)
- Near-field optical properties of Au-Nanocubes: confinement of hot and cold spots (2012) (0)
- Analysis of TiO 2 Atomic Layer Deposition Surface Chemistry and Evidence of Propene Oligomerization Using Surface-Enhanced Raman Spectroscopy (2018) (0)
- Coarse Grain Lipid Simulator (2008) (0)
- The JPC Periodic Table. (2019) (0)
- Polariton Formation from Soret Band Excitons in Metal–Organic Frameworks and Plasmonic Lattices (2022) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- Theories of plasmon enhanced optical processes important in solar energy (2012) (0)
- New subsections for JPC A/B/C and JPC letters. (2012) (0)
- The Journal of Physical Chemistry Letters, The FIRST Impact. (2012) (0)
- Virtual Issue in Honor of Prof. Richard Van Duyne (1945-2019). (2020) (0)
- QM/MM studies of gas-liquid collisional energy transfer (2012) (0)
- Editorial: 2017 in Perspective. (2018) (0)
- Coupled states distorted wave study of the O(/sup 3/P)+H/sub 2/ (D/sub 2/, HD, DH) reaction (1985) (0)
- Hyperthermal chemistry in the gas phase and on surfaces (2005) (0)
- ff ects in the Electromagnetic Enhancement Mechanism of Surface-Enhanced Raman Scattering : Dipole Reradiation and Rectangular Symmetry E ff ects for Nanoparticle Arrays (2012) (0)
- A quasiclassical trajectory study of mode specific reaction rate enhancements in H + H2O (v1v2v3) OH + H2 (2009) (0)
- Exact quantum study of vibrational deactivation by reactive and nonreactive collisions in the collinear isotopic H + FH systems. Interim report. [H + FH, D + FD, H + FD, D + FH] (1976) (0)
- Ultra-high vacuum tip-enhanced Raman spectroscopy (2017) (0)
- A prominent enzyme. (1982) (0)
- Wave Functions , Density Functionals , and Arti fi cial Intelligence for Materials and Energy Research : Future Prospects and Challenges Mart í n (2018) (0)
- Test of Variational Transition State Theory and Multidimensional Semiclassical Transmission Coefficient Methods Against Accurate Quantal Rate Constants for H + H2/ HD, D + H2, and O + H2/ D2/ HD, Including Intra- and Intermolecular Ki (1986) (0)
- Theoretical studies of chemical reactions: dynamics (1988) (0)
- Resonant-enhanced localized surface plasmon resonance spectroscopy (2006) (0)
- Quantum reactive scattering study of Mu+H/sub 2/. -->. MuH+H (1985) (0)
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