George C. Schatz
#13,202
Most Influential Person Now
American chemist
George C. Schatz's AcademicInfluence.com Rankings
George C. Schatzchemistry Degrees
Chemistry
#101
World Rank
#250
Historical Rank
#47
USA Rank
Physical Chemistry
#9
World Rank
#16
Historical Rank
#4
USA Rank
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Chemistry
George C. Schatz's Degrees
- PhD Chemistry California Institute of Technology
- Bachelors Chemistry Rensselaer Polytechnic Institute
Why Is George C. Schatz Influential?
(Suggest an Edit or Addition)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 fields of reaction dynamics and nanotechnology.
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 Works
- The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment (2003) (8675)
- Photoinduced Conversion of Silver Nanospheres to Nanoprisms (2001) (2889)
- The journal of physical chemistry letters (2009) (1841)
- Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties. (2008) (1705)
- Electromagnetic fields around silver nanoparticles and dimers. (2004) (1631)
- Controlling anisotropic nanoparticle growth through plasmon excitation (2003) (1403)
- Present and Future of Surface-Enhanced Raman Scattering (2019) (1371)
- What controls the melting properties of DNA-linked gold nanoparticle assemblies? (2000) (1276)
- DNA-programmable nanoparticle crystallization (2008) (1272)
- Localized surface plasmon resonance spectroscopy of single silver nanocubes. (2005) (1231)
- Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements. (2008) (985)
- Nanoparticle Superlattice Engineering with DNA (2011) (927)
- A nanoscale optical biosensor: The long range distance dependence of the localized surface plasmon resonance of noble metal nanoparticles (2004) (906)
- Atomistic simulations of nanotube fracture (2002) (880)
- Structural Information from Ion Mobility Measurements: Effects of the Long-Range Potential (1996) (852)
- Localized surface plasmon resonance spectroscopy of single silver triangular nanoprisms. (2006) (806)
- Probing the structure of single-molecule surface-enhanced Raman scattering hot spots. (2008) (780)
- Plasmonic Properties of Copper Nanoparticles Fabricated by Nanosphere Lithography (2007) (732)
- Silver nanoparticle array structures that produce remarkably narrow plasmon lineshapes. (2004) (668)
- Structure-activity relationships in gold nanoparticle dimers and trimers for surface-enhanced Raman spectroscopy. (2010) (658)
- Observation of a quadrupole plasmon mode for a colloidal solution of gold nanoprisms. (2005) (633)
- Lasing action in strongly coupled plasmonic nanocavity arrays. (2013) (621)
- Nanoparticle Optics: The Importance of Radiative Dipole Coupling in Two-Dimensional Nanoparticle Arrays † (2003) (602)
- An accurate electromagnetic theory study of surface enhancement factors for silver, gold, copper, lithium, sodium, aluminum, gallium, indium, zinc, and cadmium (1987) (599)
- Covalent functionalization and passivation of exfoliated black phosphorus via aryl diazonium chemistry. (2016) (598)
- 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) (590)
- Plasmonic materials for surface-enhanced sensing and spectroscopy (2005) (589)
- The Extinction Spectra of Silver Nanoparticle Arrays: Influence of Array Structure on Plasmon Resonance Wavelength and Width† (2003) (537)
- Electronic structure methods for studying surface-enhanced Raman scattering. (2008) (499)
- Nanosphere Lithography: Effect of the External Dielectric Medium on the Surface Plasmon Resonance Spectrum of a Periodic Array of Silver Nanoparticles (1999) (474)
- Electrodynamics of Noble Metal Nanoparticles and Nanoparticle Clusters (1999) (455)
- Surface plasmon generation and light transmission by isolated nanoholes and arrays of nanoholes in thin metal films. (2005) (454)
- Confined plasmons in nanofabricated single silver particle pairs: experimental observations of strong interparticle interactions. (2005) (445)
- Synthesis and Optical Properties of ``Branched'' Gold Nanocrystals (2004) (437)
- Light-harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks. (2013) (437)
- Distance dependence of plasmon-enhanced photocurrent in dye-sensitized solar cells. (2009) (422)
- Pyridine-Ag20 cluster: a model system for studying surface-enhanced Raman scattering. (2006) (418)
- A comparative analysis of localized and propagating surface plasmon resonance sensors: the binding of concanavalin a to a monosaccharide functionalized self-assembled monolayer. (2004) (412)
- Single-Molecule Chemistry with Surface- and Tip-Enhanced Raman Spectroscopy. (2017) (412)
- Methods for describing the electromagnetic properties of silver and gold nanoparticles. (2008) (411)
- Electromagnetic mechanism of SERS (2006) (410)
- Nanosphere Lithography: Effect of Substrate on the Localized Surface Plasmon Resonance Spectrum of Silver Nanoparticles (2001) (407)
- Reversing the size-dependence of surface plasmon resonances (2010) (406)
- Discrete dipole approximation for calculating extinction and Raman intensities for small particles with arbitrary shapes (1995) (399)
- Designing, fabricating, and imaging Raman hot spots (2006) (393)
- Controlling plasmon line shapes through diffractive coupling in linear arrays of cylindrical nanoparticles fabricated by electron beam lithography. (2005) (389)
- Theoretical Studies of Surface Enhanced Raman Scattering (1984) (373)
- Surface plasmon broadening for arbitrary shape nanoparticles: A geometrical probability approach (2003) (370)
- The role of vacancy defects and holes in the fracture of carbon nanotubes (2004) (365)
- Localized Surface Plasmon Resonance Spectroscopy of Triangular Aluminum Nanoparticles (2008) (358)
- Single-molecule surface-enhanced Raman spectroscopy of crystal violet isotopologues: theory and experiment. (2011) (350)
- Reversible switching of magnetism in thiolate-protected Au25 superatoms. (2009) (343)
- Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions. (2013) (326)
- Brightening of carbon nanotube photoluminescence through the incorporation of sp3 defects. (2013) (314)
- Real-time tunable lasing from plasmonic nanocavity arrays (2015) (311)
- Computational Studies of the Structure, Behavior upon Heating, and Mechanical Properties of Graphite Oxide (2007) (310)
- Resonance Raman scattering of rhodamine 6G as calculated using time-dependent density functional theory. (2006) (309)
- Silver nanoparticle array structures that produce giant enhancements in electromagnetic fields (2005) (308)
- Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H+H2 (1976) (305)
- Multipole plasmon resonances in gold nanorods. (2006) (299)
- Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets (2007) (296)
- Structure enhancement factor relationships in single gold nanoantennas by surface-enhanced Raman excitation spectroscopy. (2013) (295)
- Narrow plasmonic/photonic extinction and scattering line shapes for one and two dimensional silver nanoparticle arrays. (2004) (292)
- Nanoscale Optical Biosensor : Short Range Distance Dependence of the Localized Surface Plasmon Resonance of Noble Metal Nanoparticles (291)
- 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) (289)
- Synthesis and Optical Properties of Anisotropic Metal Nanoparticles (2004) (279)
- Nanosphere Lithography: Surface Plasmon Resonance Spectrum of a Periodic Array of Silver Nanoparticles by Ultraviolet−Visible Extinction Spectroscopy and Electrodynamic Modeling (1999) (274)
- Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations (2005) (272)
- Quantum Mechanics in Chemistry (1993) (272)
- Energy landscapes and function of supramolecular systems (2015) (270)
- Surface-enhanced Raman excitation spectroscopy of a single rhodamine 6G molecule. (2009) (269)
- NWChem: Past, present, and future. (2020) (269)
- Localized surface plasmon resonance nanosensor: a high-resolution distance-dependence study using atomic layer deposition. (2005) (264)
- High-performance SERS substrates: Advances and challenges (2013) (261)
- Interaction of plasmon and molecular resonances for rhodamine 6G adsorbed on silver nanoparticles. (2007) (259)
- Optical properties of metal nanoshells (2004) (252)
- Plasmonics in the ultraviolet with the poor metals Al, Ga, In, Sn, Tl, Pb, and Bi. (2013) (252)
- Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. I. Theory (1976) (251)
- DNA-Linked Metal Nanosphere Materials: Structural Basis for the Optical Properties (2000) (250)
- Theory of Raman scattering by molecules adsorbed on electrode surfaces (1978) (249)
- Multipolar excitation in triangular nanoprisms. (2005) (239)
- Surface plasmons at single nanoholes in Au films (2004) (238)
- Electromagnetic Mechanism of Surface-enhanced Spectroscopy (2006) (237)
- Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response. (2019) (230)
- Single-Molecule Tip-Enhanced Raman Spectroscopy (2012) (230)
- Toward plasmonic solar cells: protection of silver nanoparticles via atomic layer deposition of TiO2. (2009) (229)
- Nonlocal optical response of metal nanostructures with arbitrary shape. (2009) (226)
- Optical Properties of One-, Two-, and Three-Dimensional Arrays of Plasmonic Nanostructures (2016) (226)
- Localized surface plasmon resonance spectroscopy near molecular resonances. (2006) (226)
- A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reaction (1980) (224)
- Silver nanoparticles with broad multiband linear optical absorption. (2009) (223)
- From Discrete Electronic States to Plasmons: TDDFT Optical Absorption Properties of Agn(n= 10, 20, 35, 56, 84, 120) Tetrahedral Clusters (2008) (223)
- Expanding applications of SERS through versatile nanomaterials engineering. (2017) (210)
- Enabling singlet fission by controlling intramolecular charge transfer in π-stacked covalent terrylenediimide dimers (2016) (209)
- The analytical representation of electronic potential-energy surfaces (1989) (206)
- Tailorable plasmonic circular dichroism properties of helical nanoparticle superstructures. (2013) (200)
- Surface-enhanced raman scattering of pyrazine at the junction between two Ag20 nanoclusters. (2006) (189)
- Near-field photochemical imaging of noble metal nanostructures. (2005) (188)
- 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) (188)
- Exact quantum, quasiclassical, and semiclassical reaction probabilities for the collinear F+H2 → FH+H reaction (1975) (185)
- Synthesis of silver nanodisks using polystyrene mesospheres as templates. (2002) (183)
- Gold nanoparticle dimer plasmonics: finite element method calculations of the electromagnetic enhancement to surface-enhanced Raman spectroscopy (2009) (181)
- Nitrogenase-mimic iron-containing chalcogels for photochemical reduction of dinitrogen to ammonia (2016) (181)
- Controlling the shape, orientation, and linkage of carbon nanotube features with nano affinity templates (2006) (178)
- 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) (176)
- Nanostructured organic semiconductor films for molecular detection with surface-enhanced Raman spectroscopy. (2017) (174)
- Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers. (2011) (174)
- Observation of multiple vibrational modes in ultrahigh vacuum tip-enhanced Raman spectroscopy combined with molecular-resolution scanning tunneling microscopy. (2012) (170)
- Theoretical studies of polyatomic bimolecular reaction dynamics. (1995) (168)
- Correlating the Structure, Optical Spectra, and Electrodynamics of Single Silver Nanocubes (2009) (164)
- Plasmon-mediated synthesis of silver triangular bipyramids. (2009) (163)
- Modeling the effect of small gaps in surface-enhanced Raman spectroscopy (2012) (160)
- Conformational order in aggregates of conjugated polymers. (2015) (160)
- Tailoring the sensing capabilities of nanohole arrays in gold films with Rayleigh anomaly-surface plasmon polaritons. (2007) (159)
- Size-dependence of the enhanced Raman scattering of pyridine adsorbed on Agn (n = 2-8, 20) clusters (2007) (158)
- A surface enhanced hyper‐Raman scattering study of pyridine adsorbed onto silver: Experiment and theory (1988) (157)
- Journal of Physical Chemistry A: Editorial (2006) (154)
- Using DNA to Design Plasmonic Metamaterials with Tunable Optical Properties (2020) (154)
- Quantum mechanical reactive scattering: An accurate three-dimensional calculation (1975) (152)
- State-to-state chemistry with fast hydrogen atoms. Reaction and collisional excitation in H + CO2 (1987) (151)
- TDDFT studies of absorption and SERS spectra of pyridine interacting with Au20. (2006) (148)
- Electrochemical tuning of silver nanoparticles fabricated by nanosphere lithography. (2005) (148)
- Nanoscale form dictates mesoscale function in plasmonic DNA-nanoparticle superlattices. (2015) (147)
- Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives. (2005) (146)
- A global H2O potential energy surface for the reaction O(1D)+H2→OH+H (1996) (146)
- Finite lifetime effects on the polarizability within time-dependent density-functional theory. (2005) (141)
- Plasmonic properties of film over nanowell surfaces fabricated by nanosphere lithography. (2005) (141)
- Quantum reactive scattering using hyperspherical coordinates: Results for H+H2 and Cl+HCl (1988) (140)
- Rayleigh anomaly-surface plasmon polariton resonances in palladium and gold subwavelength hole arrays. (2009) (139)
- Band-edge engineering for controlled multi-modal nanolasing in plasmonic superlattices. (2017) (138)
- Correlated optical measurements and plasmon mapping of silver nanorods. (2011) (137)
- Optical properties of metal nanoparticles and nanoparticle aggregates important in biosensors (2000) (136)
- Singlet Fission via an Excimer-Like Intermediate in 3,6-Bis(thiophen-2-yl)diketopyrrolopyrrole Derivatives. (2016) (132)
- Immobilized nanorod assemblies: fabrication and understanding of large area surface-enhanced Raman spectroscopy substrates. (2013) (132)
- Self-assembly of ink molecules in dip-pen nanolithography: A diffusion model (2001) (131)
- A quasiclassical trajectory study of the state-to-state dynamics of atomic hydrogen + water .fwdarw. hydroxyl + molecular hydrogen (1984) (130)
- Simultaneous covalent and noncovalent hybrid polymerizations (2016) (130)
- Dispersible gold nanorod dimers with sub-5 nm gaps as local amplifiers for surface-enhanced Raman scattering. (2012) (130)
- Plasmon resonance broadening in small metal particles (1983) (129)
- Assembly of reconfigurable one-dimensional colloidal superlattices due to a synergy of fundamental nanoscale forces (2012) (128)
- On the origin of photoluminescence in silicon nanocrystals: pressure-dependent structural and optical studies. (2012) (127)
- Synthesis and isolation of {110}-faceted gold bipyramids and rhombic dodecahedra. (2011) (126)
- Introduction to plasmonics. (2011) (125)
- Large quantum effects in the collinear F+H2-->FH+H reaction (1973) (124)
- Modeling the self-assembly of peptide amphiphiles into fibers using coarse-grained molecular dynamics. (2012) (123)
- Cell death versus cell survival instructed by supramolecular cohesion of nanostructures (2014) (123)
- Carbonization in polyacrylonitrile (PAN) based carbon fibers studied by ReaxFF molecular dynamics simulations. (2012) (123)
- Strong Coupling between Plasmonic Gap Modes and Photonic Lattice Modes in DNA-Assembled Gold Nanocube Arrays. (2015) (122)
- Hyper-Rayleigh scattering studies of silver, copper, and platinum nanoparticle suspensions (2002) (122)
- CO2 Hydrogenation to Formic Acid on Ni(111) (2012) (121)
- Screening of type I and II drug binding to human cytochrome P450-3A4 in nanodiscs by localized surface plasmon resonance spectroscopy. (2009) (120)
- Effect of structural dynamics on charge transfer in DNA hairpins. (2008) (120)
- Capillary force in atomic force microscopy. (2004) (120)
- Quantum Effects in Gas Phase Bimolecular Chemical Reactions (1988) (117)
- Model simulations of DNA denaturation dynamics (2001) (117)
- Optical properties of nanowire dimers with a spatially nonlocal dielectric function. (2010) (117)
- High-Resolution Distance Dependence Study of Surface-Enhanced Raman Scattering Enabled by Atomic Layer Deposition. (2016) (117)
- Crystallography, Morphology, Electronic Structure, and Transport in non-Fullerene/non-Indacenodithienothiophene Polymer:Y6 Solar Cells. (2020) (115)
- Hyper-Rayleigh scattering from silver nanoparticles (2002) (115)
- Ultralow-threshold, continuous-wave upconverting lasing from subwavelength plasmons (2019) (114)
- Journal of Physical Chemistry B: Editorial (2006) (114)
- POTENTIAL ENERGY SURFACE AND QUASICLASSICAL TRAJECTORY STUDIES OF THE N(2D)+H2 REACTION (1996) (113)
- Direct Observation of a Charge-Transfer State Preceding High-Yield Singlet Fission in Terrylenediimide Thin Films. (2017) (112)
- Molecularly Tunable Fluorescent Quantum Defects (2016) (111)
- Allosteric transcriptional regulation via changes in the overall topology of the core promoter (2015) (111)
- Structural Engineering in Plasmon Nanolasers. (2017) (111)
- Ultrafast and nonlinear surface-enhanced Raman spectroscopy. (2016) (110)
- Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier. (2011) (110)
- Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: a RT-TDDFT/FDTD Approach (2010) (109)
- Plasmon-Coupled Resonance Energy Transfer. (2017) (109)
- Theories of reactive scattering. (2006) (108)
- Carbon nanotube fracture - differences between quantum mechanical mechanisms and those of empirical potentials (2003) (107)
- Ultrahigh-Vacuum Tip-Enhanced Raman Spectroscopy. (2017) (107)
- A global A-state potential surface for H2O: Influence of excited states on the O(1D)+H2 reaction (1997) (107)
- Resonance surface plasmon spectroscopy: low molecular weight substrate binding to cytochrome p450. (2006) (107)
- Theoretical studies of plasmon resonances in one-dimensional nanoparticle chains: narrow lineshapes with tunable widths (2006) (106)
- Mobilities of carbon cluster ions: Critical importance of the molecular attractive potential (1998) (106)
- Anomalous surface diffusion in nanoscale direct deposition processes. (2003) (105)
- A quasiclassical trajectory study of the OH+CO reaction (1991) (105)
- Time‐dependent dynamics of methyl iodide photodissociation in the first continuum (1990) (105)
- Light-Driven Expansion of Spiropyran Hydrogels. (2020) (104)
- Supramolecular–covalent hybrid polymers for light-activated mechanical actuation (2020) (104)
- Chemical fabrication of heterometallic nanogaps for molecular transport junctions. (2009) (102)
- Gap structure effects on surface-enhanced Raman scattering intensities for gold gapped rods. (2010) (100)
- Programmable and reversible plasmon mode engineering (2016) (100)
- Surface plasmon standing waves in large-area subwavelength hole arrays. (2005) (98)
- Plasmonic photonic crystals realized through DNA-programmable assembly (2014) (98)
- Calculating nonlocal optical properties of structures with arbitrary shape (2009) (98)
- Dissociation dynamics of vibrationally excited van der Waals clusters: I2XY → I2+X+Y (X, Y=He, Ne) (1983) (98)
- Correlating nanorod structure with experimentally measured and theoretically predicted surface plasmon resonance. (2010) (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) (97)
- Bisboronic Acids for Selective, Physiologically Relevant Direct Glucose Sensing with Surface-Enhanced Raman Spectroscopy. (2016) (95)
- 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)
- Using theory and computation to model nanoscale properties (2007) (93)
- A new potential surface and quasiclassical trajectory study of H+H2O→OH+H2 (2000) (93)
- Shape-selective deposition and assembly of anisotropic nanoparticles. (2014) (92)
- DNA as helical ruler: exciton-coupled circular dichroism in DNA conjugates. (2005) (91)
- LSPR Imaging of Silver Triangular Nanoprisms: Correlating Scattering with Structure Using Electrodynamics for Plasmon Lifetime Analysis (2012) (91)
- A crossed molecular beams study of the O(3P)+H2 reaction: Comparison of excitation function with accurate quantum reactive scattering calculations (2003) (91)
- A theoretical study of complex formation, isotope effects, and energy partitioning in the atomic oxygen(1D) + molecular hydrogen(D2, HD) reaction (1986) (89)
- The origin of cross section thresholds in H+H2: Why quantum dynamics appears to be more vibrationally adiabatic than classical dynamics (1983) (89)
- Quantum and quasiclassical calculations on the OH+CO→CO2+H reaction (1993) (88)
- 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)
- 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) (85)
- Closely packed, low reorganization energy π-extended postfullerene acceptors for efficient polymer solar cells (2018) (83)
- Using nanoscale and mesoscale anisotropy to engineer the optical response of three-dimensional plasmonic metamaterials (2014) (83)
- Aluminum and Indium Plasmonic Nanoantennas in the Ultraviolet (2014) (83)
- 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)
- 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)
- A quasiclassical trajectory study of H+CO2: Angular and translational distributions, and OH angular momentum alignment (1997) (81)
- A quasiclassical trajectory study of the reaction OH+CO→H+CO2 (2003) (80)
- Whispering-gallery mode resonators: Surface enhanced Raman scattering without plasmons. (2008) (80)
- Electrodynamics of nonspherical noble metal nanoparticles and nanoparticle aggregates (2001) (79)
- Quantitative evaluation of plasmon enhanced Raman scattering from nanoaperture arrays (2007) (79)
- Duplex and hairpin dimer structures for perylene diimide-oligonucleotide conjugates. (2005) (78)
- Uniform circular disks with synthetically tailorable diameters: two-dimensional nanoparticles for plasmonics. (2015) (78)
- Surprisingly long-range surface-enhanced Raman scattering (SERS) on Au-Ni multisegmented nanowires. (2009) (78)
- Stretchable Nanolasing from Hybrid Quadrupole Plasmons. (2018) (77)
- Electron-beam mapping of plasmon resonances in electromagnetically interacting gold nanorods (2009) (77)
- Induction and Reversal of Myotonic Dystrophy Type 1 Pre-mRNA Splicing Defects by Small Molecules (2013) (77)
- Scattering Theory and Dynamics: Time-Dependent and Time-Independent Methods (1996) (77)
- Liquid meniscus condensation in dip-pen nanolithography (2002) (76)
- What Controls the Optical Properties of DNA-Linked Gold Nanoparticle Assemblies?* (2020) (76)
- 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)
- Plasmonic Surface Lattice Resonances: Theory and Computation. (2019) (75)
- Wavelength-Scanned Surface-Enhanced Resonance Raman Excitation Spectroscopy (2008) (75)
- 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)
- Molecular Dynamics Simulation of DNA-Functionalized Gold Nanoparticles (2009) (74)
- Extraordinary improvement of the graphitic structure of continuous carbon nanofibers templated with double wall carbon nanotubes. (2013) (74)
- Spatial confinement of electromagnetic hot and cold spots in gold nanocubes. (2012) (74)
- Transition states and minimum energy pathways for the collapse of carbon nanotubes (2006) (73)
- Confined propagation of covalent chemical reactions on single-walled carbon nanotubes. (2011) (73)
- Structures of DNA-linked nanoparticle aggregates. (2006) (73)
- Tailoring DNA structure to increase target hybridization kinetics on surfaces. (2010) (73)
- Electrostatic aggregation and formation of core-shell suprastructures in binary mixtures of charged metal nanoparticles. (2006) (73)
- An atomistic-continuum Cosserat rod model of carbon nanotubes (2009) (72)
- Exploring the reaction dynamics of nitrogen atoms: A combined crossed beam and theoretical study of N(2D)+D2→ND+D (1999) (72)
- An abinitio calculation of the rate constant for the OH+H2→H2O+H reaction (1980) (72)
- Mesoscale molecular network formation in amorphous organic materials (2014) (72)
- Understanding the Surfaces of Nanodiamonds (2013) (72)
- Many-body theory of surface-enhanced Raman scattering (2008) (70)
- Quantum theory of photodetachment spectra of transition states (1990) (70)
- Aluminum Film-Over-Nanosphere Substrates for Deep-UV Surface-Enhanced Resonance Raman Spectroscopy. (2016) (70)
- On the importance of incorporating dipole reradiation in the modeling of surface enhanced Raman scattering from spheres. (2009) (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)
- Detecting Resonances (2000) (68)
- Quantum scattering study of electronic Coriolis and nonadiabatic coupling effects in O(1D)+H2→OH+H (1999) (68)
- Theoretical studies of intersystem crossing effects in the O(3P, 1D)+H2 reaction (2003) (68)
- A coupled channel study of HN2 unimolecular decay based on a global ab initio potential surface (1991) (67)
- Evaluating Single-Molecule Stokes and Anti-Stokes SERS for Nanoscale Thermometry (2015) (67)
- Superlattice Plasmons in Hierarchical Au Nanoparticle Arrays (2015) (67)
- What controls the hybridization thermodynamics of spherical nucleic acids? (2015) (66)
- Plasmon-sampled surface-enhanced raman excitation spectroscopy on silver immobilized nanorod assemblies and optimization for near infrared (λex = 1064 nm) studies (2013) (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)
- Synthesis, linear extinction, and preliminary resonant hyper-Rayleigh scattering studies of gold-core/silver-shell nanoparticles: comparisons of theory and experiment (2002) (65)
- Nanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. (2016) (65)
- CO2 hydrogenation to formic acid on Ni(110) (2012) (65)
- Resonance vibrational Raman optical activity: a time-dependent density functional theory approach. (2007) (65)
- Ab initio and semiempirical molecular orbital studies of surface enhanced and bulk hyper‐Raman scattering from pyridine (1992) (65)
- Significant nonadiabatic effects in the S(1D) + HD reaction. (2007) (64)
- Influence of Surfactant Bilayers on the Refractive Index Sensitivity and Catalytic Properties of Anisotropic Gold Nanoparticles. (2016) (64)
- A coupled states distorted wave study of the O(3P)+H2 (D2, HD, DH) reaction (1985) (64)
- Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers. (2004) (63)
- Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling. (2017) (63)
- Quantum wave packet and quasiclassical trajectory studies of OH+CO: influence of the reactant channel well on thermal rate constants. (2004) (63)
- Theoretical studies of intersystem crossing effects in the O+H2 reaction (2000) (63)
- Electronic excitations and spectra in single-stranded DNA. (2008) (63)
- Phase diagram for assembly of biologically-active peptide amphiphiles. (2008) (62)
- The role of surface roughness in surface enhanced raman spectroscopy (SERS): the importance of multiple plasmon resonances (1981) (62)
- Trajectory surface hopping study of the O(3P) + ethylene reaction dynamics. (2008) (62)
- Confining standing waves in optical corrals. (2009) (61)
- Hydrophobic dimerization and thermal dissociation of perylenediimide-linked DNA hairpins. (2009) (61)
- Multi-walled carbon nanotubes experiencing electrical breakdown as gas sensors (2004) (61)
- A local interpolation scheme using no derivatives in quantum-chemical calculations (1999) (61)
- Conformational control of TT dimerization in DNA conjugates. A molecular dynamics study. (2010) (60)
- Using DNA to Link Gold Nanoparticles, Polymers and Molecules: a Theoretical Perspective. (2010) (60)
- Abnormally large plasmonic shifts in silica-protected gold triangular nanoprisms (2010) (60)
- Liquid plasmonics: manipulating surface plasmon polaritons via phase transitions. (2012) (60)
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- Mechanically activated molecular switch through single-molecule pulling. (2011) (59)
- 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)
- Structure at polymer interfaces determined by high‐resolution nuclear reaction analysis (1990) (59)
- Surface Plasmon Coupling of Compositionally Heterogeneous Core-Satellite Nanoassemblies. (2013) (59)
- Semiclassical vibrational eigenvalues of triatomic molecules: Application of the FFT method to SO2, H2O, H+3, and CO2 (1984) (59)
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- Modeling self-assembly processes driven by nonbonded interactions in soft materials. (2008) (58)
- A Model for Simulating Dynamics of DNA Denaturation (2000) (58)
- High-quality optical modes in low-dimensional arrays of nanoparticles: application to random lasers (2004) (58)
- Computational Modeling of Plasmon-Enhanced Light Absorption in a Multicomponent Dye Sensitized Solar Cell (2012) (57)
- Optical properties of responsive hybrid au@polymer nanoparticles. (2012) (57)
- 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)
- Extending SERS into the infrared with gold nanosphere dimers. (2011) (57)
- Global potential energy surfaces for the lowest 1A’, 3A‘, and 1A‘ states of HNO (1995) (56)
- The effect of field gradient on SERS (2013) (56)
- Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions. (2018) (56)
- Observation of Single Molecule Plasmon-Driven Electron Transfer in Isotopically Edited 4,4'-Bipyridine Gold Nanosphere Oligomers. (2017) (56)
- Modeling Singlet Fission in Rylene and Diketopyrrolopyrrole Derivatives: The Role of the Charge Transfer State in Superexchange and Excimer Formation (2017) (56)
- A comparative study of the reaction dynamics of several potential energy surfaces of O(3P)+H2→OH+H. I (1981) (56)
- Interaction between DNAs on a Gold Surface (2009) (56)
- Identification of parameters through which surface chemistry determines the lifetimes of hot electrons in small Au nanoparticles (2013) (55)
- Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications (2015) (55)
- Hydrophobically-Driven Self-Assembly: A Geometric Packing Analysis (2003) (55)
- Reaction dynamics of O(1D)+HD. I. The insertion pathway (1999) (54)
- Surface plasmon-mediated energy transfer in heterogap Au-Ag nanowires. (2008) (54)
- Free-standing bimetallic nanorings and nanoring arrays made by on-wire lithography. (2010) (54)
- The rate constants for the H+H2 reaction and its isotopic analogs at low temperatures: Wigner threshold law behavior (1987) (54)
- Coupled channel distorted wave calculations for the three‐dimensional H+H2 reaction (1984) (54)
- Fundamental Limitations to Plasmonic Hot-Carrier Solar Cells. (2016) (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)
- Influence of Atomic Fine Structure on Bimolecular Rate Constants: The Cl(2P) + HCl Reaction (1995) (54)
- Automatic potential energy surface generation directly from ab initio calculations using Shepard interpolation: A test calculation for the H2+H system (1997) (54)
- Ag-Ag2S Hybrid Nanoprisms: Structural versus Plasmonic Evolution. (2016) (54)
- Observation of highly energetic collisions in classical trajectory studies of collisional energy transfer (1990) (54)
- Effect of Cation Rotation on Charge Dynamics in Hybrid Lead Halide Perovskites (2016) (53)
- 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) (53)
- Size-Dependent Angular Distributions of Low-Energy Photoelectrons Emitted from NaCl Nanoparticles (2007) (53)
- Electrostatically-Directed Self-Assembly of Cylindrical Peptide Amphiphile Nanostructures (2004) (53)
- Crossed beams and theoretical studies of the O(3P)+CH4-->H+OCH3 reaction excitation function. (2004) (53)
- A quasiclassical trajectory study of mode specific reaction dynamics in the Cl+HOD and H+HOD reactions (1993) (53)
- Resonance Localized Surface Plasmon Spectroscopy: Sensing Substrate and Inhibitor Binding to Cytochrome P450 (2008) (53)
- Theoretical Studies of the O( 3 P) + Methane Reaction (2003) (53)
- Virtual Issue: Graphene and Functionalized Graphene (2011) (52)
- DNA-based optomechanical molecular motor. (2011) (52)
- Molecular engineering of organic semiconductors enables noble metal-comparable SERS enhancement and sensitivity (2019) (52)
- Introduction to Quantum Mechanics in Chemistry (2000) (52)
- Mechanisms of Hydrogen-Assisted CO2 Reduction on Nickel. (2017) (52)
- Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers. (2013) (52)
- A reinterpretation of the mechanism of the simplest reaction at an sp3-hybridized carbon atom: H + CD4 --> CD3 + HD. (2005) (51)
- Structure of the myotonic dystrophy type 2 RNA and designed small molecules that reduce toxicity. (2014) (51)
- Theoretical and experimental studies of the reactions between hyperthermal O(3P) and graphite: graphene-based direct dynamics and beam-surface scattering approaches. (2009) (51)
- Classical perturbation theory of good action-angle variables. Applications to semiclassical eigenvalues and to collisional energy transfer in polyatomic molecules (1979) (51)
- Experimental-computational study of shear interactions within double-walled carbon nanotube bundles. (2012) (51)
- Probing Molecular-Scale Catalytic Interactions between Oxygen and Cobalt Phthalocyanine Using Tip-Enhanced Raman Spectroscopy. (2018) (51)
- In Situ Nanoscale Redox Mapping Using Tip-Enhanced Raman Spectroscopy. (2019) (50)
- Ab Initio and RRKM Studies of the Reactions of C, CH, and 1CH2 with Acetylene (1998) (50)
- Computational electromagnetics of metal nanoparticles and their aggregates (2001) (50)
- DNA melting in small-molecule-DNA-hybrid dimer structures: experimental characterization and coarse-grained molecular dynamics simulations. (2010) (50)
- Coupled potential-energy surfaces and quantum reactive scattering for the Cl(2P) + HCl → ClH + Cl(2P) reaction (1997) (50)
- Reaction dynamics of O(1D)+HD. II. Effects of excited surfaces (1999) (49)
- Energy transfer-enhanced photocatalytic reduction of protons within quantum dot light-harvesting–catalyst assemblies (2018) (49)
- Hyperthermal Reactions of O(3P) with Alkanes: Observations of Novel Reaction Pathways in Crossed-Beams and Theoretical Studies (2003) (49)
- Singlet Fission in 9,10-Bis(phenylethynyl)anthracene Thin Films. (2018) (49)
- Tunable laser excitation profile of surface enhanced Raman scattering from pyridine adsorbed on a copper electrode surface. Technical report (1980) (49)
- Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences. (2020) (49)
- Nonadiabatic effects in photodissociation dynamics: A quantum mechanical study of ICN photodissociation in the A continuum (1990) (49)
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- Radiative effects in plasmonic aluminum and silver nanospheres and nanorods (2015) (49)
- A Quantum State-Resolved Insertion Reaction: O(1D) + H2(J = 0) → OH(2∏, v, N) + H(2S) (2000) (49)
- Arrays of nanoscale lenses for subwavelength optical lithography. (2010) (48)
- Finite-difference time-domain studies of light transmission through nanohole structures (2006) (48)
- Time-Dependent Theory of the Rate of Photo-induced Electron Transfer (2011) (48)
- Plasmonic focusing in rod-sheath heteronanostructures. (2009) (48)
- A program for determining primitive semiclassical eigenvalues for vibrating/rotating nonlinear triatomic molecules (1988) (48)
- Franck-Condon factors in studies of dynamics of chemical reactions. II. Vibration-rotation distributions in atom-diatom reactions (1977) (48)
- Theoretical studies of energy transfer and reaction in H+H2O and H+D2O collisions (1993) (48)
- Fourier transform methods for calculating action variables and semiclassical eigenvalues for coupled oscillator systems (1984) (48)
- A quasiclassical trajectory study of OH rotational excitation in OH+CO collisions using ab initio potential surfaces (1992) (47)
- Systematic study of antibonding modes in gold nanorod dimers and trimers. (2014) (47)
- Triggered release of pharmacophores from [Ni(HAsO₃)]-loaded polymer-caged nanobin enhances pro-apoptotic activity: a combined experimental and theoretical study. (2011) (47)
- Metal nanoparticle array waveguides: Proposed structures for subwavelength devices (2006) (47)
- Design principles for photonic crystals based on plasmonic nanoparticle superlattices (2018) (47)
- Silver-based nanodisk codes. (2010) (47)
- Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C12mim][NTf2] (2010) (46)
- Complex angular momentum analysis of resonance scattering in the Cl+HCl→ClH+Cl reaction (1995) (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)
- DNA-linked metal nanosphere materials: Fourier-transform solutions for the optical response (2000) (46)
- Metamaterials with gradient negative index of refraction. (2007) (46)
- Electron donor-acceptor interactions with flanking purines influence the efficiency of thymine photodimerization. (2011) (45)
- Fundamental behavior of electric field enhancements in the gaps between closely spaced nanostructures. (2010) (45)
- Systematic Merging of Nonfullerene Acceptor π-Extension and Tetrafluorination Strategies Affords Polymer Solar Cells with >16% Efficiency. (2021) (45)
- Periodic electric field enhancement along gold rods with nanogaps. (2010) (45)
- H + CD4 abstraction reaction dynamics: product energy partitioning. (2006) (45)
- 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) (44)
- Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3p) + D2. (2006) (44)
- Atomic-scale roughness effect on capillary force in atomic force microscopy. (2006) (44)
- Comparison of master equation and trajectory simulation of the relaxation of an ensemble of highly vibrationally excited molecules (1994) (44)
- Oxidation and Etching of CVD Diamond by Thermal and Hyperthermal Atomic Oxygen (2010) (44)
- The quantum dynamics of H + H2(ν = 1): A coupled states study of cross sections and rate constants (1983) (44)
- Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment (2015) (43)
- Near-field polarization effects in molecular-motion-induced photochemical imaging (2008) (43)
- Experimental and theoretical studies of plasmon–molecule interactions (2012) (43)
- Fluorinating π‐Extended Molecular Acceptors Yields Highly Connected Crystal Structures and Low Reorganization Energies for Efficient Solar Cells (2020) (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)
- Propagative Sidewall Alkylcarboxylation that Induces Red-Shifted Near-IR Photoluminescence in Single-Walled Carbon Nanotubes. (2013) (43)
- Theoretical studies of surface enhanced hyper-Raman spectroscopy: the chemical enhancement mechanism. (2010) (43)
- Sharp melting transitions in DNA hybrids without aggregate dissolution: proof of neighboring-duplex cooperativity. (2007) (43)
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- H + CD4 abstraction reaction dynamics: excitation function and angular distributions. (2006) (43)
- Surface-Enhanced Raman Spectroscopy Detection of Ricin B Chain in Human Blood (2016) (43)
- Nanotechnology for Next Generation Solar Cells (2009) (43)
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- 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)
- Quantum and classical studies of the O(3P) + H2(v = 0-3,j = 0) --> OH + H reaction using benchmark potential surfaces. (2004) (42)
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- Nature of noncovalent interactions in catenane supramolecular complexes: calibrating the MM3 force field with ab initio, DFT, and SAPT methods. (2013) (42)
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- On the linear response and scattering of an interacting molecule-metal system. (2009) (41)
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- Nanoscale fracture mechanics. (2007) (41)
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- Optical near-fields of triangular nanostructures (2007) (41)
- A three dimensional quantum reactive scattering study of the I+HI reaction and of the IHI− photodetachment spectrum (1989) (41)
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- A Mutation in Histone H2B Represents a New Class of Oncogenic Driver. (2019) (41)
- Multiscale Simulation as a Framework for the Enhanced Design of Nanodiamond-Polyethylenimine-based Gene Delivery. (2012) (41)
- Quantum nonadiabatic effects in the photodissociation of vibrationally excited CH3I (1991) (40)
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- A semiconducting organic radical cationic host-guest complex. (2012) (40)
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- A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2 (1992) (40)
- Dynamics of the N(2D) + D2 Reaction from Crossed-Beam and Quasiclassical Trajectory Studies† (2001) (40)
- Shape and Size Control of Substrate-Grown Gold Nanoparticles for Surface-Enhanced Raman Spectroscopy Detection of Chemical Analytes (2018) (40)
- Microscopic origin of the humidity dependence of the adhesion force in atomic force microscopy. (2007) (39)
- Quasiclassical Trajectory and Transition State Theory Studies of the N(4S) + H2 ↔ NH(X3Σ-) + H Reaction (2002) (39)
- On the Structure and Stability of Self-Assembled Zwitterionic Peptide Amphiphiles: A Theoretical Study (2004) (39)
- Contraction and Expansion of Stimuli-Responsive DNA Bonds in Flexible Colloidal Crystals. (2016) (39)
- Two-photon excited deep-red and near-infrared emissive organic co-crystals (2020) (39)
- Highly Cooperative Behavior of Peptide Nucleic Acid‐Linked DNA‐Modified Gold‐Nanoparticle and Comb‐Polymer Aggregates (2009) (39)
- Assembly of nanorods into designer superstructures: the role of templating, capillary forces, adhesion, and polymer hydration. (2010) (38)
- Ion current calculations based on three dimensional Poisson-Nernst-Planck theory for a cyclic peptide nanotube. (2006) (38)
- Cooperative melting in caged dimers with only two DNA duplexes. (2010) (38)
- A reduced dimensionality quantum reactive scattering study of the insertion reaction O(1D)+H2→OH+H (1989) (38)
- Theoretical studies of the O+H2 reaction (1980) (38)
- Optical and electrical properties of inner tubes in outer wall-selectively functionalized double-wall carbon nanotubes (2011) (38)
- Experimental and theoretical study of the O+HCl transition state region by photodetachment of OHCl− (1994) (37)
- All-atom numerical studies of self-assembly of zwitterionic peptide amphiphiles (2004) (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)
- A quasiclassical trajectory study of product state distributions from the CN+H2→HCN+H reaction (1997) (37)
- On stochastic reductions in molecular collision theory: Projection operator formalism; application to classical and quantum forced oscillator model (1977) (37)
- Critical comparison of approximate and accurate quantum-mechanical calculations of rate constants for a model activated reaction in solution (1992) (37)
- The effect of randomly distributed surface bumps on local field enhancements in surface enhanced Raman spectroscopy (1982) (37)
- Hyperthermal chemistry in the gas phase and on surfaces: Theoretical studies (2004) (37)
- An ab initio determination of the rate constant for H2+C2H→H+C2H2 (1982) (37)
- Model for describing plasmon-enhanced lasers that combines rate equations with finite-difference time-domain (2013) (37)
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- Collisional energy transfer from highly vibrationally excited SF6 (1993) (36)
- Nearside—farside analysis of angular scattering in elastic, inelastic and reactive molecular collisions (1993) (36)
- Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra. (2012) (36)
- Photoinduced Plasmon-Driven Chemistry in trans-1,2-Bis(4-pyridyl)ethylene Gold Nanosphere Oligomers. (2018) (36)
- Rings of single-walled carbon nanotubes: molecular-template directed assembly and Monte Carlo modeling. (2007) (36)
- Dynamics of heavy + light–heavy atom transfer reactions. The reaction Cl + HCl → ClH + Cl (1987) (36)
- Angular momentum decoupling approximations in the quantum dynamics of reactive systems (1977) (36)
- Synthesis of heterodimeric sphere-prism nanostructures via metastable gold supraspheres. (2007) (36)
- Highly excited molecules : relaxation, reaction, and structure (1997) (35)
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- Optical Properties of Gold Nanospheres (2005) (35)
- Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid. (2010) (35)
- Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules (1992) (35)
- Sharp melting in DNA-linked nanostructure systems: thermodynamic models of DNA-linked polymers. (2007) (35)
- Quasiclassical trajectory studies of state-resolved bimolecular reactions. Vibrational distributions in triatomic products (1995) (35)
- Plasmon-coupled resonance energy transfer: A real-time electrodynamics approach. (2017) (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)
- Charge Transport across DNA-Based Three-Way Junctions. (2015) (35)
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- Manipulating the optical properties of pyramidal nanoparticle arrays. (2006) (34)
- Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles. (2016) (34)
- In situ scanning electron microscope peeling to quantify surface energy between multiwalled carbon nanotubes and graphene. (2014) (34)
- Phase space bottlenecks: A comparison of quantum and classical intramolecular dynamics for collinear OCS (1987) (34)
- Coupled ab initio potential energy surfaces for the reaction Cl(2P)+HCl→ClH+Cl(2P) (1999) (34)
- Unraveling near-field and far-field relationships for 3D SERS substrates--a combined experimental and theoretical analysis. (2016) (34)
- A coupled states quantum reactive scattering study of H + D2 → HD + D ATErel(υ = j = 0) = 0.55 eV (1984) (34)
- Inversion of product selectivity in an enzyme-inspired metallosupramolecular tweezer catalyzed epoxidation reaction. (2009) (33)
- In solution SERS sensing using mesoporous silica-coated gold nanorods. (2016) (33)
- Hierarchical Hybridization in Plasmonic Honeycomb Lattices. (2019) (33)
- Quantum mechanical reactive scattering for planar atomplus H_2 diatom systems. II. Accurate cross sections forH+H_2 (1976) (33)
- A method to correlate optical properties and structures of metallic nanoparticles. (2009) (33)
- Collective surface plasmon resonance coupling in silver nanoshell arrays (2008) (33)
- Shear and friction between carbon nanotubes in bundles and yarns. (2014) (33)
- Ring-in-Ring(s) Complexes Exhibiting Tunable Multicolor Photoluminescence. (2020) (33)
- Distance-Dependence of Interparticle Energy Transfer in the Near-Infrared within Electrostatic Assemblies of PbS Quantum Dots. (2017) (33)
- A rod model for three dimensional deformations of single-walled carbon nanotubes (2011) (33)
- Room Temperature Weak-to-Strong Coupling and the Emergence of Collective Emission from Quantum Dots Coupled to Plasmonic Arrays. (2020) (33)
- Tunnelling in bimolecular collisions (1987) (33)
- Theoretical studies of the O(3P) + ethane reaction (2003) (33)
- Violation of microscopic reversibility and the use of reverse quais-classical trajectories for calculating reaction cross sections (1974) (32)
- Design Considerations for RNA Spherical Nucleic Acids (SNAs) (2016) (32)
- Theoretical studies of fast H atom collisions with NO (1985) (32)
- Engineering Directionality in Quantum Dot Shell Lasing Using Plasmonic Lattices. (2020) (32)
- Tunneling currents that increase with molecular elongation. (2011) (32)
- Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen. (2017) (32)
- Mechanistic Insights into Photo-catalyzed H2 Dissociation on Au Clusters. (2020) (32)
- Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation. (2016) (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)
- New uniform semiclassical theory of resonance angular scattering for reactive molecular collisions (1995) (32)
- Nanotechnology for catalysis and solar energy conversion (2020) (31)
- Classical rotational and centrifugal sudden approximations for atom-molecule collisional energy transfer (1980) (31)
- 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)
- 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)
- Chemiluminescence excited by atomic fluorine (1972) (31)
- Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes (2008) (31)
- A quantum reactive scattering study of Mu+H2→MuH+H (1985) (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)
- Plasma-driven solution electrolysis (2021) (31)
- A study of the dynamics of UV laser photolysis of NOCl and NOBr (1982) (31)
- Plasmonic superlattices: Hierarchical subwavelength hole arrays (2009) (31)
- State‐selective studies of T→R, V energy transfer: The H+CO system (1988) (31)
- Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state. (2009) (31)
- A quasiclassical trajectory study of H+H2O→OH+H2: Angular distributions and OH angular momentum alignment (1998) (30)
- Building Blocks for High-Efficiency Organic Photovoltaics. Interplay of Molecular, Crystal, and Electronic Properties of Post-Fullerene ITIC Ensembles. (2019) (30)
- Influence of transition state resonances on integral cross sections and product rovibrational distributions for the Cl+HCl→ClH+Cl reaction (1991) (30)
- Adjusting the Metrics of 1-D Helical Gold Nanoparticle Superstructures Using Multivalent Peptide Conjugates. (2015) (30)
- Observation of size-dependent thermalization in CdSe nanocrystals using time-resolved photoluminescence spectroscopy. (2011) (30)
- Quantum scattering studies of collisional energy transfer from highly excited molecules: Classical/quantum comparisons for collinear He+CS2 (1997) (30)
- The FFT Method for Determining Semiclassical Eigenvalues: Application to Asymmetric Top Rigid Rotors (1986) (30)
- Photovoltaic blend microstructure for high efficiency post-fullerene solar cells. To tilt or not to tilt? (2019) (30)
- Collisional energy transfer in polyatomic molecules: A study of anharmonicity effects in Kr+CO2 (1979) (30)
- A quasiclassical trajectory study of collisional excitation in H+CO (1984) (30)
- Modeling of Electrodynamic Interactions between Metal Nanoparticles Aggregated by Electrostatic Interactions into Closely-Packed Clusters (2007) (29)
- The Role of Structural Enthalpy in Spherical Nucleic Acid Hybridization. (2018) (29)
- Metal oxide nanoparticle growth on graphene via chemical activation with atomic oxygen. (2013) (29)
- Enhancing the melting properties of small molecule-DNA hybrids through designed hydrophobic interactions: an experimental-computational study. (2012) (29)
- Long-range plasmophore rulers. (2013) (29)
- Conformational control of thymine photodimerization in single-strand and duplex DNA containing locked nucleic acid TT steps. (2010) (29)
- Polarization-Dependent Optical Response in Anisotropic Nanoparticle-DNA Superlattices. (2017) (29)
- Quasiclassical trajectory studies of N+OH, O+NH, and H+NO collisions using global ab initio potential energy surfaces (1995) (29)
- A square-planar tetracoordinate oxygen-containing Ti₄O₁₇ cluster stabilized by two 1,1'-ferrocenedicarboxylato ligands. (2014) (29)
- Directional emission from dye-functionalized plasmonic DNA superlattice microcavities (2017) (29)
- Soft Skin Layers Enable Area-Specific, Multiscale Graphene Wrinkles with Switchable Orientations. (2020) (29)
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- Single-molecule pulling and the folding of donor-acceptor oligorotaxanes: phenomenology and interpretation. (2009) (28)
- Probing the Chemistry of Alumina Atomic Layer Deposition Using Operando Surface-Enhanced Raman Spectroscopy (2016) (28)
- Eutectic liquid alloys for plasmonics: theory and experiment. (2012) (28)
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- Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3. (2009) (28)
- Variational transition state theory and quasiclassical trajectory studies of the H2+OH→H+H2O reaction and some isotopic variants (2001) (28)
- Lasing action in periodic arrays of nanoparticles (2015) (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)
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- Polarized resonance Raman spectrum as a probe of nonadiabatic transitions in photodissociation : a theoretical treatment (1991) (28)
- Electromagnetic Field Enhancement for Wedge-Shaped Metal Nanostructures (2011) (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)
- Theoretical Studies of the Energetics and Dynamics of Chemical Reactions (1988) (28)
- Plasmonic Metallurgy Enabled by DNA (2016) (28)
- Differential cross sections for fine structure transitions in O(3P2)+Ar collisions (1994) (28)
- Ultrafast Photoluminescence in Quantum-Confined Silicon Nanocrystals Arises from an Amorphous Surface Layer (2014) (28)
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- Transition States of chemical reactions. (1993) (27)
- The CH+H reaction studied with quantum-mechanical and classical trajectory calculations (2002) (27)
- Solution-Dispersible Metal Nanorings with Deliberately Controllable Compositions and Architectural Parameters for Tunable Plasmonic Response. (2015) (27)
- Optical Properties and Structural Relationships of the Silver Nanoclusters Ag32(SG)19 and Ag15(SG)11 (2017) (27)
- Identification of Dimeric Methylalumina Surface Species during Atomic Layer Deposition Using Operando Surface-Enhanced Raman Spectroscopy. (2017) (27)
- Defect tolerance and the effect of structural inhomogeneity in plasmonic DNA-nanoparticle superlattices (2015) (27)
- Lasing from Finite Plasmonic Nanoparticle Lattices (2020) (27)
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- Inhibition of Amyloid-β Aggregation by Cobalt(III) Schiff Base Complexes: A Computational and Experimental Approach. (2019) (27)
- Analysis of TiO2 Atomic Layer Deposition Surface Chemistry and Evidence of Propene Oligomerization Using Surface-Enhanced Raman Spectroscopy. (2018) (27)
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- Probing Intermolecular Vibrational Symmetry Breaking in Self-Assembled Monolayers with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. (2017) (26)
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- Direct measurement of lattice dynamics and optical phonon excitation in semiconductor nanocrystals using femtosecond stimulated Raman spectroscopy. (2013) (24)
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- Reducing CO2 to CO and H2O on Ni(110): The Influence of Subsurface Hydrogen (2016) (24)
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- 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)
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- The generalized cumulant expansion approach to stochastic reductions in molecular collision dynamics: Applications to collisional energy transfer (1977) (24)
- Tests of collinear quasiclassical trajectory transmission coefficient correction to transition state theory (1981) (24)
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- Reaction of H with highly vibrationally excited water: activated or not? (1999) (23)
- Virtual Issue: Plasmon Resonances - A Physical Chemistry Perspective (2011) (23)
- Supramolecular Gelation of Rigid Triangular Macrocycles through Rings of Multiple C-H···O Interactions Acting Cooperatively. (2016) (23)
- Phase of molecular ink in nanoscale direct deposition processes. (2006) (23)
- Hollow spherical gold nanoparticle superstructures with tunable diameters and visible to near-infrared extinction. (2014) (23)
- A centrifugal sudden distorted wave study of the reaction Cl + HCl → ClH + Cl: product rotational distributions (1986) (23)
- Plasmon-Coupled Resonance Energy Transfer II: Exploring the Peaks and Dips in the Electromagnetic Coupling Factor (2018) (23)
- Influence of surface roughness on the pull-off force in atomic force microscopy (2007) (23)
- An analytical fit to an accurate ab initio (1A1) potential surface of H2O (1981) (23)
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- 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)
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- Physicochemical Trapping of Neurotransmitters in Polymer-Mediated Gold Nanoparticle Aggregates for Surface-Enhanced Raman Spectroscopy. (2019) (22)
- The mechanical properties of single-crystal and ultrananocrystalline diamond: A theoretical study (2005) (22)
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- Quasiclassical Trajectory Study of Energy and Angular Distributions for the H + CO2 → OH + CO Reaction† (2002) (22)
- Collisional excitation of CO by 2.3 eV H atoms (1991) (22)
- Plasmon resonance broadening in spheroidal metal particles (1983) (22)
- Effect of structural dynamics and base pair sequence on the nature of excited states in DNA hairpins. (2012) (22)
- A cooperative beads-on-a-string approach to exceptionally stable DNA triplexes. (2006) (21)
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- Structural Effects in the Electromagnetic Enhancement Mechanism of Surface-Enhanced Raman Scattering: Dipole Reradiation and Rectangular Symmetry Effects for Nanoparticle Arrays (2012) (21)
- Molecular-Level Engineering of Adhesion in Carbon Nanomaterial Interfaces. (2015) (21)
- Near-field spectroscopy of surface plasmons in flat gold nanoparticles. (2007) (21)
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- Theoretical studies of vibrational excitation in collisions of O(3P) with H2O(1A1) (1986) (21)
- Coupled plasmonic plasmon/photonic resonance effects in SERS (2006) (21)
- SERS Study of the Mechanism of Plasmon-Driven Hot Electron Transfer between Gold Nanoparticles and PCBM (2019) (21)
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- 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)
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- Theory of SERS enhancement: general discussion. (2017) (20)
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- Tunable Fluorescence from Dye‐Modified DNA‐Assembled Plasmonic Nanocube Arrays (2019) (20)
- Structures of the Clusters Produced by Laser Desorption of Fullerenes: [2+2] Cycloadducts of Preshrunk Cages (1998) (19)
- Nanoscale fracture of tetrahedral amorphous carbon by molecular dynamics: Flaw size insensitivity (2008) (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)
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- Substrate effects on surface plasmons in single nanoholes (2007) (19)
- Photoinduced electron transfer from rail to rung within a self-assembled oligomeric porphyrin ladder. (2010) (19)
- Modeling super-resolution SERS using a T-matrix method to elucidate molecule-nanoparticle coupling and the origins of localization errors. (2017) (19)
- The branching ratio between reaction and relaxation in the removal of H2O from its |04〉− vibrational state in collisions with H atoms (2001) (19)
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- Self-Assembled Plasmonic Metamolecules Exhibiting Tunable Magnetic Response at Optical Frequencies (2017) (18)
- Perylenediimide-Linked DNA Dumbbells: Long-Distance Electronic Interactions and Hydrophobic Assistance of Base-Pair Melting† (2010) (18)
- Inhomogeneous Surface Plasmon Polaritons (2014) (18)
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- 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)
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- Unusual Insertion Mechanism in the Reaction C(3P) + H2 → CH + H (1996) (16)
- Fabrication of Gold Nanosphere Oligomers for Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy (2017) (16)
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- 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)
- Monte Carlo sampling methods for determining potential energy surfaces using Shepard interpolation. The O(1D)+H2 system (1998) (15)
- Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy at 1 MHz Repetition Rates. (2016) (15)
- Mixing rules and the Casimir force between composite systems (2011) (15)
- Analytical Approaches To Identify Plasmon-like Excited States in Bare and Ligand-Protected Metal Nanoclusters (2020) (15)
- Electric field enhancement and light transmission in cylindrical nanoholes. (2007) (15)
- Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters. (2020) (15)
- Collisions of sodium atoms with liquid glycerol: insights into solvation and ionization. (2014) (14)
- Enhancing DNA-Mediated Assemblies of Supramolecular Cage Dimers through Tuning Core Flexibility and DNA Length--A Combined Experimental-Modeling Study. (2015) (14)
- Wrinkles in Polytetrafluoroethylene on Polystyrene: Persistence Lengths and the Effect of Nanoinclusions. (2017) (14)
- A quasiclassical trajectory study of the H+HCN→H2+CN reaction dynamics (2000) (14)
- Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization. (2020) (14)
- Interrogating Intracellular Zinc Chemistry with a Long Stokes Shift Zinc Probe ZincBY-4. (2019) (14)
- Fluorine Tuning of Morphology, Energy Loss, and Carrier Dynamics in Perylenediimide Polymer Solar Cells (2019) (14)
- Substituent effects on energetics and crystal morphology modulate singlet fission in 9,10-bis(phenylethynyl)anthracenes. (2019) (14)
- Isothermal Titration Calorimetry for the Screening of Aflatoxin B1 Surface-Enhanced Raman Scattering Sensor Affinity Agents. (2018) (14)
- Conformal, Macroscopic Crystalline Nanoparticle Sheets Assembled with DNA (2015) (14)
- Controlling Orientational Order in 1-D Assemblies of Multivalent Triangular Prisms. (2013) (14)
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- Deducing the Adsorption Geometry of Rhodamine 6G from the Surface-Induced Mode Renormalization in Surface-Enhanced Raman Spectroscopy (2018) (14)
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- Ion Coordination and Chelation in a Glycolated Polymer Semiconductor: Molecular Dynamics and X-ray Fluorescence Study (2020) (13)
- Effect of loop distortion on the stability and structural dynamics of DNA hairpin and dumbbell conjugates. (2008) (13)
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- Molecular dynamics simulations and electronic excited state properties of a self-assembled peptide amphiphile nanofiber with metalloporphyrin arrays. (2014) (13)
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- Perspective on “Exchange reactions with activation energy. I. Simple barrier potential for (H, H2)” (2000) (13)
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- Modeling Metal Nanoparticle Optical Properties (2001) (12)
- Wave Functions, Density Functionals, and Artificial Intelligence for Materials and Energy Research: Future Prospects and Challenges (2018) (12)
- Enhanced polarizability of aromatic molecules placed in the vicinity of silver clusters (2009) (12)
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- Tailoring the parameters of nanohole arrays in gold films for sensing applications (2007) (12)
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- Balancing the Effects of Extinction and Enhancement for Optimal Signal in Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy (2016) (10)
- Domain Separation in Density Functional Theory. (2019) (10)
- Tunable and broadband plasmonic absorption via dispersible nanoantennas with sub-10 nm gaps. (2013) (10)
- Reactive Force Field Modeling of Zinc Oxide Nanoparticle Formation (2016) (10)
- COMPUTATIONAL METHODS FOR POLYATOMIC BIMOLECULAR REACTIONS (1998) (10)
- Dynamical instabilities and structural changes in molecules (1983) (9)
- Northwestern University Initiative for Teaching NanoSciences (NUITNS): An Approach for Teaching Computational Chemistry to Engineering Undergraduate Students (2011) (9)
- Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl → ClH + Cl(2P) reaction (2005) (9)
- Overview of Reactive Scattering (1981) (9)
- Defects in DNA: Lessons from Molecular Motor Design (2012) (9)
- Theoretical calculation of the photo-induced electron transfer rate between a gold atom and a gold cation solvated in CCl4 (2011) (9)
- Plasmonic Nanoparticle Lattice Devices for White-Light Lasing. (2021) (9)
- Operational Regimes in Picosecond and Femtosecond Pulse-Excited Ultrahigh Vacuum SERS. (2016) (9)
- Identification of Brillouin Zones by In-Plane Lasing from Light-Cone Surface Lattice Resonances. (2021) (9)
- Near-Quantitative Yield for Transfer of Near-Infrared Excitons within Solution-Phase Assemblies of PbS Quantum Dots (2016) (9)
- Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy (2017) (9)
- Non-Fullerene Acceptors with Direct and Indirect Hexa-fluorination Afford >17% Efficiency in Polymer Solar Cells (2022) (9)
- Unusual mechanisms can dominate reactions at hyperthermal energies: an example from O(3P) + HCl --> ClO + H. (2008) (9)
- Lattice Gas Monte Carlo Simulation of Capillary Forces in Atomic Force Microscopy (2010) (9)
- Synthesis and characterization of a plasmonic-semiconductor composite containing rationally designed, optically tunable gold nanorod dimers and anatase TiO2 (2014) (9)
- Direct dynamics simulations of O(3P) + HCl at hyperthermal collision energies. (2006) (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)
- Overcoming the Myths of the Review Process and Getting Your Paper Ready for Publication. (2014) (9)
- Analytical potential energy surfaces for ethynyl, acetylene, and vinyl (1984) (9)
- Coulombic interactions and crystal packing effects in the folding of donor-acceptor oligorotaxanes. (2011) (9)
- Dephasing of electromagnetic fields in scattering from an isolated slit in a gold film (2008) (8)
- Synthesis and properties of nicked dumbbell and dumbbell DNA conjugates having stilbenedicarboxamide linkers. (2007) (8)
- Plasmon-Driven Chemistry in Ferri-/Ferrocyanide Gold Nanoparticle Oligomers: A SERS Study. (2020) (8)
- ACS Virtual Issue on Multicomponent Systems: Absorption, Adsorption, and Diffusion (2018) (8)
- Polariton Dynamics in Two-Dimensional Ruddlesden-Popper Perovskites Strongly Coupled with Plasmonic Lattices. (2022) (8)
- Generating narrow plasmon resonances from silver nanoparticle arrays: influence of array pattern and particle spacing (2004) (8)
- Quantum Interference and Substantial Properties Tuning in Conjugated Z-Ortho-Regio-Resistive Organic (ZORRO) Junctions. (2019) (8)
- Charge Transport and Thermoelectric Properties of Carbon Sulfide Nanobelts in Single-Molecule Sensors (2019) (8)
- A quasiclassical trajectory study of final state distributions in collisions of fast H(D) atoms with HF(DF) (1987) (8)
- Correction: Plasmonics in the ultraviolet with the poor metals Al, Ga, In, Sn, Tl, Pb, and Bi. (2015) (8)
- Ultraviolet Plasmonics: The Poor Metals Al, Ga, In, Sn, Tl, Pb, and Bi (2009) (8)
- Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts. (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)
- Getting your Submission Right and Avoiding Rejection. (2012) (8)
- New Journals for a New Year (2007) (8)
- Semiempirical modeling of electrochemical charge transfer. (2017) (8)
- Thymine photodimer formation in DNA hairpins. Unusual conformations favor (6 - 4) vs. (2 + 2) adducts. (2014) (8)
- Studying Stimulated Raman Activity in Surface-Enhanced Femtosecond Stimulated Raman Spectroscopy by Varying the Excitation Wavelength. (2017) (8)
- Crossed-beams and theoretical studies of hyperthermal reactions of O(3P) with HCl. (2010) (8)
- The formation of highly excited H 3+ in the reaction H2+(v) + H2 → H 3+ + H (1987) (8)
- Kinetic lattice grand canonical Monte Carlo simulation for ion current calculations in a model ion channel system. (2007) (8)
- Theoretical Studies of the Erosion of (100) and (111) Diamond Surfaces by Hyperthermal O(3P) (2011) (8)
- Electron Paramagnetic Resonance of Magnetically Dilute Cupric (3d9, 2D) Ion in Single Crystals of Zinc 3‐Pyridine Sulfonate (1971) (8)
- Phonon-Driven Oscillatory Plasmonic Excitonic Nanomaterials. (2018) (8)
- Optimizing linear polymer affinity agent properties for surface-enhanced Raman scattering detection of aflatoxin B1 (2019) (8)
- Model for describing plasmonic nanolasers using Maxwell-Liouville equations with finite-difference time-domain calculations (2017) (8)
- Vibrational predissociation rates and final state distributions for He-ICl and He-I2 using a computationally simple method (1998) (8)
- A three-dimensional quantum reactive scattering study of the I + DI reaction and of the IDI– photodetachment spectrum (1990) (8)
- Selective Separation of Hexachloroplatinate(IV) Dianions Based on Exo-Binding with Cucurbit[6]uril. (2021) (8)
- PCage: Fluorescent Molecular Temples for Binding Sugars in Water. (2021) (7)
- Molecular-Scale Mechanistic Investigation of Oxygen Dissociation and Adsorption on Metal Surface-Supported Cobalt Phthalocyanine. (2019) (7)
- Wave packet methods for the direct calculation of energy-transfer moments in molecular collisions (1999) (7)
- Germanium Fluoride Nanocages as Optically Transparent n-Type Materials and Their Endohedral Metallofullerene Derivatives. (2019) (7)
- Quantum scattering study of collisional energy transfer in He+NO2: The importance of the vibronic mixing (2000) (7)
- Dependence of Plasmon Energies on the Acoustic Normal Modes of Agn (n = 20, 84, and 120) Clusters (2016) (7)
- Tensile Mechanics of α-Helical Polypeptides (2013) (7)
- Mechanically interlocked pyrene-based photocatalysts (2022) (7)
- Single‐Molecule Pulling: Phenomenology and Interpretation (2012) (7)
- Design of nanodiamond based drug delivery patch for cancer therapeutics and imaging applications (2010) (7)
- Local electric field factors by a combined charge-transfer and point–dipole interaction model (2015) (7)
- Strong Coupling Between Plasmons and Molecular Excitons in Metal-Organic Frameworks. (2021) (7)
- Thermodynamics and Mechanism of a Photocatalyzed Stereoselective [2+2] Cycloaddition on a CdSe Quantum Dot. (2020) (7)
- Investigating Single-Molecule Fluorescence Spectral Heterogeneity of Rhodamines Using High-Throughput Single-Molecule Spectroscopy. (2021) (7)
- Localized surface plasmon and molecular resonance: fundamental study and application (2006) (7)
- Ultrafast pulse excitation of a metallic nanosystem containing a Kerr nonlinear material (2006) (7)
- The Image Field Effect: How Important Is It? (1982) (7)
- Finite element method for two-dimensional vibrational wave functions: Theory and application to van der Waals molecules (2001) (7)
- Fracture paths and ultrananocrystalline diamond (2005) (7)
- Alpha- and beta-stilbenosides as base-pair surrogates in DNA hairpins. (2006) (7)
- Effective Medium Theory of DNA-linked Gold Nanoparticle Aggregates: Effect of Aggregate Shape (2000) (7)
- Journal Impact Factor and the Real Impact of Your Paper. (2015) (7)
- Wavelength and Polarization Dependence of Second-Harmonic Responses from Gold Nanocrescent Arrays (2020) (7)
- Discrete Open-Shell Tris(bipyridinium radical cationic) Inclusion Complexes in the Solid State. (2020) (7)
- Collisional Excitation of H2O by O-Atom Impact: Classical Dynamics on an Accurate Ab Initio Potential Energy Surface (1981) (7)
- The Journal of Physical Chemistry. Editorial for January 2012 for JPC A/B/C. (2012) (6)
- Vibrational Probe of Aqueous Electrolytes - The Field is Not Enough. (2020) (6)
- Alkanethiol Mediated Release of Surface Bound Nanoparticles Fabricated by Nanosphere Lithography (2005) (6)
- Electronic interactions in helical stacked arrays of the modified DNA base pyrrolocytosine. (2012) (6)
- Ultrasensitive and towards single molecule SERS: general discussion. (2017) (6)
- Quantum scattering studies of collisional energy transfer from highly excited polyatomic molecules: A bend-stretch model of He + CS2 (1997) (6)
- Editorial for January 2016 for JPC A/B/C. (2014) (6)
- Implementation of INDO/SCI with COSMO Implicit Solvation and Benchmarking for Solvatochromic Shifts. (2016) (6)
- In the Limelight. (2017) (6)
- Locally coupled open subsystems: A formalism for affordable electronic structure calculations featuring fractional charges and size consistency. (2018) (6)
- ACS Virtual Issue on Deep Eutectic Solvents (2017) (6)
- Programmable Self-Regulation with Wrinkled Hydrogels and Plasmonic Nanoparticle Lattices. (2021) (6)
- A direct method for determining moments of final state distributions in molecular collisions (1978) (6)
- Understanding Open Access. (2015) (6)
- Hofmeister Effects on Peptide Amphiphile Nanofiber Self-Assembly. (2019) (6)
- Mechanistic understanding of entanglement and heralding in cascade emitters. (2020) (6)
- Evaluation of thermal rates for reactions with intermediate wells: Removal of bound state contributions to quantum flux correlation functions (1993) (6)
- Kinetic master equation modeling of an artificial protein pump (2016) (6)
- Mechanisms of Formaldehyde and C2 Formation from Methylene Reacting with CO2 Adsorbed on Ni(110) (2018) (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)
- Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials (2008) (6)
- Conformation of DNA between gold surfaces (2010) (6)
- Screened multipole electrostatic interactions at the Debye–Hückel level (2004) (5)
- Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin. (2020) (5)
- Nanopipette‐based electrochemical SERS platforms: Using electrodeposition to produce versatile and adaptable plasmonic substrates (2020) (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)
- A contorted nanographene shelter (2021) (5)
- THEORETICAL STUDY OF REACTIONS OF HYPERTHERMAL O( 3 P) WITH PERFLUORINATED HYDROCARBONS (2006) (5)
- Reactive and Nonreactive Quenching of OH(A 2Σ+) in Collisions with H Atoms† (2001) (5)
- Particle-level engineering of thermal conductivity in matrix-embedded semiconductor nanocrystals. (2012) (5)
- A Quasiclassical Trajectory Study of Product Rotational, Angular, and Projection Distributions in the OH + H2 → H2O + H Reaction (1981) (5)
- Entangled Photon Resonance Energy Transfer in Arbitrary Media. (2019) (5)
- Comment on: Time‐dependent Hartree approximation applied to the photodissociation of ICN (1992) (5)
- A New High-Profile Journal for Cutting-Edge Research across Physical Chemistry (2010) (5)
- Theoretical Studies of the O(3P) + C2 Reaction at Hyperthermal Energies (2012) (5)
- Stochastic theory of vibrational energy transfer in collinear atom-diatom collisions: the role of non-markovian effects (1979) (5)
- Quantum mechanical calculations of the S(1D)+HD reaction dynamics on the ground electronic state (2009) (5)
- A further theoretical exploration of the surface-aligned photo-initiated H+CO2 reaction: Surface motion and temperature dependence (1997) (5)
- Can Nanocavities Significantly Enhance Resonance Energy Transfer in a Single Donor–Acceptor Pair? (2021) (5)
- Osmolytic Co-Solute Perturbing the Surface Enhancement of Halide Ions (2013) (5)
- Formulation of the double differential and other cross-sections for the ClHCl− photodetachment process (1997) (5)
- Product State Distributions in Chemical Reactions: the Reaction + → +2 (1996) (5)
- Investigation of p-Type Doping in β- and κ-Ga2O3 (2021) (5)
- Editorial for January 2016 for JPC A/B/C. (2013) (5)
- Editorial for January 2010 (2010) (5)
- Nanosphere Optics Lab (2006) (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)
- EVALUATION OF RESONANCE CONTRIBUTIONS TO THERMAL REACTION RATES USING QUANTUM FLUX CORRELATION FUNCTIONS (1994) (5)
- Ab initio potential energy surface for IHI−b. Simulation of IHI− photodetachment spectra (1993) (5)
- Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. (2021) (5)
- Selective Separation of Lithium Chloride by Organogels Containing Strapped Calix[4]pyrroles. (2021) (5)
- Electromagnetic Theory Calculations for Spheroids: An Accurate Study of the Particle Size Dependence of SERS and Hyper-Raman Enhancements (1984) (5)
- Phonon-induced plasmon-exciton coupling changes probed via oscillation-associated spectra (2019) (4)
- Structure and Dynamics of Electron Injection and Charge Recombination in i-Motif DNA Conjugates. (2017) (4)
- Understanding the Electronic Structure Properties of Bare Silver Clusters as Models for Plasmonic Excitation (2015) (4)
- Modulating the Electron Affinity of Small Bipyridyl Molecules on Single Gold Nanoparticles for Plasmon-Driven Electron Transfer (2021) (4)
- A theoretical study of deuterium isotope effects in the reactions molecular hydrogen + methyl and atomic hydrogen + methane (2002) (4)
- Enhancement and Suppression of Resonance Energy Transfer Near Metal Nanoparticles (2020) (4)
- TRANSpull: computes pulling coupled to transport properties of single molecules. (2011) (4)
- Thermodynamic Determination of Bimetallic Particle Geometry: Suitability of Poorly Miscible Alloys for Surface-Enhanced Raman (2020) (4)
- Hydrogenation of CO on Ni(110) by Energetic Deuterium (2018) (4)
- Frontiers of Plasmon Enhanced Spectroscopy Volume 2 (2016) (4)
- Synthesis and Characterization of Tellurium Catecholates and Their N-Oxide Adducts. (2021) (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)
- Focusing a beam of light with left-handed metamaterials (2007) (4)
- Free-Energy Profiles for A-/B-DNA Conformational Transitions in Isolated and Aggregated States from All-Atom Molecular Dynamics Simulation. (2018) (4)
- Know the Difference: Scientific Publications versus Scientific Reports. (2015) (4)
- Editorial for January 2019 for JPC A/B/C. (2011) (4)
- Plasmonically Enhanced Dye-Sensitized Solar Cells (2013) (4)
- Dynamics Studies of the O(3P) + Ch4, C2H6 and C3H8 Reactions (2004) (4)
- Computational Studies of the Properties of DNA‐Linked Nanomaterials (2012) (4)
- Light-Driven Ca(2+) Ion Pump: How Does It Work? (2015) (4)
- Quantum embedding for material chemistry based on domain separation and open subsystems (2020) (4)
- Ultrafast energy migration in porphyrin-based Metal Organic Frameworks (MOFs) (2013) (4)
- O₂(X³Σg⁻) and O₂(a¹Δg) charge exchange with simple ions. (2014) (4)
- Quasiclassical trajectory studies of H(D)+HF(DF) collisions at 2 eV (1997) (4)
- Reply to "comment on Ultrafast photoluminescence in quantum-confined silicon nanocrystals arises from an amorphous surface Layer" (2015) (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)
- Electronic Population Inversion in HCCO/DCCO Products from Hyperthermal Collisions of O((3)P) with HCCH/DCCD. (2013) (4)
- Broad-band high-gain room temperature photodetectors using semiconductor-metal nanofloret hybrids with wide plasmonic response. (2019) (4)
- Molecular Transport Junctions Created By Self-Contacting Gapped Nanowires. (2016) (3)
- Surface Nanophotonics Theory (2011) (3)
- What's in a Name? (2014) (3)
- Tensile Mechanics of alpha-Helical Polypeptides (2013) (3)
- Dipole Re-Radiation Effects in Surface Enhanced Raman Scattering (2012) (3)
- Highly Stable, Ultrasmall Polymer-Grafted Nanobins (usPGNs) with Stimuli-Responsive Capability. (2018) (3)
- Second Linear Response Theory and the Analytic Calculation of Excited-State Properties. (2021) (3)
- Time-dependent density functional theory examination of the effects of ligand adsorption on metal nanoparticles (2008) (3)
- Chapter 6:Computational Electrodynamics Methods (2011) (3)
- Selective Reduction of Niobium(V) Species to Promote Molecular Niobium/Tantalum Separation. (2021) (3)
- Nanosphere Optics Lab Field Simulator (2007) (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)
- Tailoring DNA structure to increase target hybridization kinetics on surfaces (Journal of the American Chemical Society (2010) 132 (10638-10641)) (2010) (3)
- Editorial for January 2009 (2009) (3)
- Multimetallic Nanoparticles on Mirrors for SERS Detection (2021) (3)
- Plasmonic and diffractive coupling in 2D arrays of nanoparticles produced by electron beam lithography (2006) (3)
- Dynamics of Highly Excited States in Chemistry: An Overview (1997) (3)
- Correction to Correlating Nanorod Structure with Experimentally Measured and Theoretically Predicted Surface Plasmon Resonance (2011) (3)
- Rotational Distributions in the Photodetachment of IHI− and in the I + HI Reaction: The Influence of IHI Transition State Resonances (1989) (3)
- The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering (1978) (3)
- Conformational Effects in the Transport of Glucose through a Cyclic Peptide Nanotube: A Molecular Dynamics Simulation Study. (2018) (3)
- Calculation of Surface‐Enhanced Raman Spectra Including Orientational and Stokes Effects Using TDDFT/Mie Theory QM/ED Method (2014) (3)
- Identification of the most stable silver cluster ions produced under plasma solution conditions (2021) (3)
- Molecular-Level Insight into the Hydroxylated Monomeric VOx/θ-Al2O3(010) and Its Adsorption of Methanol (2019) (3)
- The Increasing Impact of Multimedia and Social Media in Scientific Publications. (2014) (3)
- A reference trajectory approach to Langevin equations in gas phase collision dynamics (1980) (3)
- Erratum: Observation of size-dependent thermalization in CdSe nanocrystals using time-resolved photoluminescence spectroscopy (Physical Review Letters (2011) 107 (177403)) (2011) (3)
- A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies (2008) (3)
- New editor-in-chief for The Journal of Physical Chemistry A and B (2005) (3)
- Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage (2009) (2)
- Cyclophane-based two-dimensional polymer formed by an interfacial click reaction (2022) (2)
- Richard P. Van Duyne (1945–2019) (2019) (2)
- Model studies of intersystem crossing effects in the O + H2 reaction (2002) (2)
- Plasmonic Materials for Surface-Enhanced Sensing and (2005) (2)
- The effect of surface roughness on the extinction spectra and electromagnetic fields around gold nanoparticles (2008) (2)
- PNP Cyclic Peptide Ion Channel Model (2007) (2)
- Comments on two treatments of symmetry rules in chemical reactions (1983) (2)
- A Direct Trajectory Dynamics Investigation of Fast O+ Alkane Reactions (2004) (2)
- Molecular Insight into the β-Sheet Twist and Related Morphology of Self-Assembled Peptide Amphiphile Ribbons. (2021) (2)
- Electrotunable wetting, and micro- and nanofluidics: general discussion. (2017) (2)
- Inelastic and Reactive Scattering Dynamics of Hyperthermal Oxygen Atoms on Ionic Liquid Surfaces: [emim][NTf2] and [C12mim][NTf2] (2011) (2)
- Low-Density 2D Superlattices Assembled via Directional DNA Bonding. (2021) (2)
- Optical Properties of One-Dimensional Metal Nanostructures (2004) (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)
- Enzymatically Controlled Vacancies in Nanoparticle Crystals. (2016) (2)
- SERS and the scientific career of Richard P. Van Duyne (1945–2019) (2020) (2)
- Building Physical Chemistry with BRICKs. (2014) (2)
- Quantum electrodynamics description of localized surface plasmons at a metal nanosphere (2020) (2)
- Quasiclassical Trajectory Studies of Four-Atom Reactions (2004) (2)
- Ab initio and Semiempirical Molecular Orbital Studies of Surface Enhanced and Bulk Hyper‐Raman Scattering from Pyridine. (1993) (2)
- Controlled Hysteresis of Conductance in Molecular Tunneling Junctions. (2022) (2)
- DNA structures and excited states (2010) (2)
- Large-Area, Highly Crystalline DNA-Assembled Metasurfaces Exhibiting Widely Tunable Epsilon-Near-Zero Behavior. (2021) (2)
- Quantum scattering theory for collisional energy transfer (2019) (2)
- Multipurpose made colorimetric materials for amines, pH change and metal ion detection (2022) (2)
- Why Did You Accept My Paper? (2014) (2)
- Empirical Mappings of the Frequency Response of an Electron Ratchet to the Characteristics of the Polymer Transport Layer (2019) (2)
- Influence of Surfactant Bilayers and Substrate Immobilization on the Refractive Index Sensitivity of Anisotropic Gold Nanoparticles (2015) (2)
- Orbital Control and Coherent Charge Transport in Transition Metal Platinum(II)–Platinum(II) Lantern Complexes in Molecular Junctions (2020) (2)
- Controlling orientational order of multivalent prisms in superlattice assemblies (2013) (2)
- Recent Quantum Scattering Calculations on the H + H2 Reaction and Its Isotopic Counterparts (1986) (2)
- Generating Bright Emissive States by Modulating the Bandgap of Monolayer Tungsten Diselenide (2022) (2)
- Calculations on the Optical Properties of Layered Metal Nanospheres (2006) (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)
- A reaction mechanism for plasma electrolysis of AgNO3 forming silver nanoclusters and nanoparticles (2022) (2)
- Silver Nanoparticles with Broad Multi-Band Linear Optical Absorption Supporting Information (2009) (2)
- International Symposium on Gas Kinetics (8th) Held in Nottingham, England on 15-20 July 1984. Abstracts (1984) (2)
- Energetic and Frictional Effects in the Transport of Ions in a Cyclic Peptide Nanotube (2017) (2)
- Reaching Out with Physical Chemistry. (2016) (2)
- Computational Nanomaterials Modeling. (2011) (2)
- O 2 ( X 3 Σ g − ) and O 2 ( a 1 Δ g ) charge exchange with simple ions (2014) (2)
- Orientation dependence of surface enhanced Raman intensities: Results from AB initio calculations (1983) (2)
- Layered Structures of Assembled Imine-Linked Macrocycles and Two-Dimensional Covalent Organic Frameworks Give Rise to Prolonged Exciton Lifetimes (2021) (2)
- CHAPTER 4:Plasmon-enhanced Solar Chemistry: Electrodynamics and Quantum Mechanics (2013) (1)
- New Subsections for JPC A/B/C and JPC Letters. (2012) (1)
- Theoretical studies of chemical reactions: pyrolysis of formaldehyde (1984) (1)
- Advancing the frontiers of physical chemistry (2012) (1)
- Ethanol-Induced Condensation and Decondensation in DNA-Linked Nanoparticles: A Nucleosome-like Model for the Condensed State. (2022) (1)
- A rigorous electrodynamic model for periodic structure formation during UV laser-induced metal atom deposition (1995) (1)
- Physical Chemistry in India. (2017) (1)
- Ultra-high vacuum tip-enhanced Raman spectroscopy (2017) (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)
- Celebrating Our 120th Anniversary. (2016) (1)
- Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function (2013) (1)
- Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics (2018) (1)
- High-efficiency gold recovery by additive-induced supramolecular polymerization of β-cyclodextrin (2023) (1)
- Time‐Dependent Dynamics of Methyl Iodide Photodissociation in the First Continuum. (1990) (1)
- A QM/MM model for hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers (2003) (1)
- FDTD/TDSE study on surface-enhanced infrared absorption by metal nanoparticles (2006) (1)
- Manipulating Two-Photon Absorption of Molecules through Efficient Optimization of Entangled Light. (2022) (1)
- Understanding the vibrational mode-specific polarization effects in femtosecond Raman-induced Kerr-effect spectroscopy. (2016) (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)
- Late to the Party: Synthesis and Characterization of Tellurium and Selenium Half-Sandwich Complexes (2021) (1)
- Correction: In solution SERS sensing using mesoporous silica-coated gold nanorods. (2016) (1)
- International Year of the Periodic Table from a Physical Chemistry Perspective. (2019) (1)
- Theoretical Characterization of Chemical Reactions of Importance in the Oxidation of Hydrocarbons: Reactions of Acetylene with Hydrogen and Oxygen Atoms (1985) (1)
- Comment on "Theory of collisions between an atom and a diatomic molecule in the body-fixed coordinate system" (1979) (1)
- Single-electron transport in a molecular Hubbard dimer (2021) (1)
- Synthesis and Analysis of Silver/Gold Nanoparticles (2017) (1)
- Tantalum, easy as Pi: understanding differences in metal–imido bonding towards improving Ta/Nb separations (2022) (1)
- Electrovariable nanoplasmonics: general discussion. (2017) (1)
- Direct Dynamics Simulations of the Reaction O+(4S) + HCN at Hyperthermal Collision Energies† (2010) (1)
- Virtual Issue Celebrating the Life and Career of Millie Dresselhaus (2017) (1)
- Interfacial engineering of plasmonic nanoparticle metasurfaces (2022) (1)
- A Theoretical Study of the Oriented Reaction HBr·CO2 + hv → OH + CO + Br (1988) (1)
- Ionic Liquids Virtual Special Issue (2011) (1)
- Nanoparticles and theory (2012) (1)
- Editorial for January 2017 for JPC A/B/C. (2013) (1)
- New Directions in Biophysical Modeling. (2012) (1)
- Selective Separation of Hexachloroplatinate(IV) Dianions Based on Exo‐Binding with Cucurbit[6]uril (2021) (1)
- Synthesis and Characterization of a Plasmonic − Semiconductor Composite Containing Rationally Designed , Optically Tunable Gold Nanorod Dimers and Anatase TiO 2 (2014) (1)
- Structure and dynamics of reactive transition-states - general discussion (1991) (1)
- The hournal of physical chemistry: Editorial for January 2009 (2009) (1)
- A Surface Enhanced Hyper-Raman Scattering Study of Pyridine Adsorbed onto Silver: Experiment and Theory. (1988) (1)
- MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate (2010) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- Ten Reasons Why Peer Review Makes Sense. (2015) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- CO[subscript 2] hydrogenation to formic acid on Ni(111) (2011) (1)
- Optimized surfaces for second harmonic generation from surface-plasmon polaritons: theory and experiment (1995) (1)
- Abstraction Reaction Dynamics : Product Energy Partitioning † (1)
- Spectroscopy of high vibrational levels of the N-N stretching mode of N-N-16O and N-N-18O (1989) (1)
- An Algorithmic Approach Based on Data Trees and Genetic Algorithms to Understanding Charged and Neutral Metal Nanocluster Growth. (2022) (1)
- Optics of nanoparticles: Substrate, size and interface effects (2011) (1)
- Emerging Research Frontiers in Physical Chemistry. (2013) (1)
- Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles (2011) (1)
- Preface to the special issue dedicated to Professor Richard P. Van Duyne (1945–2019) (2021) (1)
- The quantum dynamics of atom plus diatom chemical reactions (1976) (1)
- A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters (2017) (1)
- Revealing the Three-Dimensional Orientation and Interplay between Plasmons and Interband Transitions for Single Gold Bipyramids by Photoluminescence Excitation Pattern Imaging (2021) (1)
- The JPC Periodic Table. (2019) (1)
- Erratum: A quantum reactive scattering study of Mu+H2→MuH+H [J. Chem. Phys. 83, 3441 (1985)] (1986) (1)
- Editorial for January 2017 for JPC A/B/C. (2017) (0)
- Physical Chemistry in India. (2017) (0)
- 125th Anniversary of JPC: A Historical Perspective. (2021) (0)
- PNAS Plus Significance Statements (2018) (0)
- Chemistry. Stretched water is more reactive. (2000) (0)
- DNA-linked nanoparticle materials: optical, electrical, and structural properties (2001) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Coarse Grain Lipid Simulator (2008) (0)
- Relaxation and Chemical Shift Measurements (2020) (0)
- What Does "Important New Physical Insights" Mean? Tips for Writing Better Papers. (2017) (0)
- On the origin of efficient photoluminescence in silicon nanocrystals (2013) (0)
- Theoretical Studies of Thymine–Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction (2011) (0)
- Electronic structure studies of surface-enhanced Raman scattering (2004) (0)
- Fe b 20 13 Single-molecule pulling : phenomenology and interpretation (2013) (0)
- Optical near-field enhancement around lithographic metallic nanostructures using an azodye polymer: Direct observation and realization of sub-wavelength complex structures (2004) (0)
- Hyperthermal Collisions of O+(4S3/2) with Methane at 5 Electron Volts (2006) (0)
- Editorial: 2017 in Perspective. (2018) (0)
- Deterministic Symmetry Breaking of Low-Dimensional Plasmonic Nanostructures: Assembly and Plasmonic Response (2018) (0)
- Transition state resonances in collinear O(3P) + HCl →OH + Cl (2009) (0)
- In the Limelight. (2017) (0)
- Lifting of Accidental Degeneracy in Molecular Vibrations Probed with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy (2018) (0)
- Physical Chemistry in India. (2017) (0)
- Plasmon-coupled Resonance Energy Transfer: Beyond Dipole Approximation (2018) (0)
- Exact quantum quasiclassical , and semiclassical reaction ' . * probabilities for the collinear F + 0 2 (2002) (0)
- Quantum Mechanics and Electrodynamics Studies of the Optical Properties of Metal Clusters/Nanoparticles (2008) (0)
- PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, high dose (2015) (0)
- Introducing Article Transfer from Letters to Regular Articles. (2014) (0)
- Chemomechanical modification of quantum emission in monolayer WSe2. (2023) (0)
- In the Limelight: Perspective Collections on Perovskites. (2017) (0)
- An Overview of the Hyperspherical Method for Reactive Scattering (1996) (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)
- The JPCL New Year's Editorial. (2017) (0)
- Color-Tunable Upconversion-Emission Switch Based on Cocrystal-to-Cocrystal Transformation. (2023) (0)
- Engineering Viscoelasticity in Autoregulatory Nanoscale Wrinkling Bilayer Hydrogel Systems: Pressure Sensors and Thermal-Responsive Drug Delivery Systems (2022) (0)
- Electronic Structure Methods for Studying Surface‐Enhanced Raman Scattering (2008) (0)
- SERS theory: The chemical effect of Rhodamine 6G adsorption on silver surfaces on its Raman spectrum (2017) (0)
- Dynamic tuning of lattice plasmon lasers with long coherence characteristics (2016) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Resonances in the Collisional Excitation of Carbon Monoxide by Fast Hydrogen Atoms (1984) (0)
- HN2and DN2Resonance Spectra: Scattering and Stabilization Calculations (1992) (0)
- MOLECULAR-SCALE INTERROGATION OF CATALYTIC INTERACTIONS BETWEEN OXYGEN AND COBALT PHTHALOCYANINE USING ULTRAHIGH VACUUM TIP-ENHANCED RAMAN SPECTROSCOPY (2018) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Semiclassical Nonadiabatic Dynamics Based on (2006) (0)
- Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations. (2020) (0)
- Editorial for January 2015 for JPC A/B/C. (2013) (0)
- Atomic-Scale View of Redox Induced Changes for Monolayer MoOx on α-TiO2(110) with Chemical-State Sensitivity. (2022) (0)
- The Development of Laser Analytical Methods for the Characterization of Solid/Liquid and Solid/High Pressure Gas Interfaces. (1985) (0)
- 78TH PHYSICAL ELECTRONICS CONFERENCE (2018) (0)
- Dynamic Control of Photocatalytic Proton Reduction through the Mechanical Actuation of a Hydrogel Host Matrix. (2021) (0)
- Subwavelength Focusing and Guiding of Surface Plasmon Polaritons (2005) (0)
- Virtual Issue on New Physical Insights. (2018) (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)
- Quasiclassical trajectory study of collisional excitation in Li/sup +/+CO/sub 2/ (1980) (0)
- Reorganization of The Journal of Physical Chemistry (2006) (0)
- Ag-Ag 2 S Hybrid Nanoprisms : Structural vs . Plasmonic Evolution (2019) (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)
- Designing plasmonic nanoparticle lattices for directional, in-plane lasing (2021) (0)
- Theoretical Analysis of Gold Nanoparticles (2009) (0)
- Editorial: New deputy editors for the journal of physical chemistry A, B, and C (2011) (0)
- Electroactuators: from understanding to micro-robotics and energy conversion: general discussion. (2017) (0)
- 125th Anniversary of JPC: A Historical Perspective. (2021) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
- Amphiphilic Soft Materials (2011) (0)
- Modern Problems in Classical Electrodynamics. By Charles A. Brau (2005) (0)
- Nanotribology and voltage-controlled friction: general discussion. (2017) (0)
- Polariton Formation from Soret Band Excitons in Metal–Organic Frameworks and Plasmonic Lattices (2022) (0)
- Modeling Plasmonic Optical Properties Using Semiempirical Electronic Structure Calculations (2019) (0)
- MURI: Surface-Templated Bio-Inspired Synthesis and Fabrication of Functional Materials (2006) (0)
- Molecular Dynamics Studies of Ion Distributions around DNA Duplexes and Duplex Dimers: Salt Effects and the Connection to Cooperative DNA Melting (2002) (0)
- Localized π Surface States on 2D Molybdenum Disulfide from Carbene-Functionalization as a Qubit Design Strategy (2022) (0)
- Theoretical studies of the O+H/sub 2/ reaction (1980) (0)
- Electron Binding Energies in DNA Modified Surfaces: Theory and Experiment (2006) (0)
- PNP Cyclic Peptide Ion Channel (2007) (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)
- Comment on: Silver nanoparticle array structures that produce remarkably narrow plasmon line shapes. Authors' reply (2005) (0)
- Editorial for January 2018 for JPC A/B/C. (2011) (0)
- Design principles for nanoparticle based photonic crystals (2018) (0)
- A quasiclassical trajectory study of mode specific reaction rate enhancements in H + H2O (v1v2v3) OH + H2 (2009) (0)
- Photodissociation of H2 on Ag and Au Nanoparticles: Effect of Size and Plasmon versus Interband Transitions on Threshold Intensities for Dissociation (2023) (0)
- Crossed-Beams and Theoretical Studies of Hyperthermal Reactions of O(<sup>3</sup>P) with HCl† (2022) (0)
- Electrodynamics simulations of surface plasmon behavior in metallic nanostructures (2005) (0)
- Coherence and Electron Transport in Pi-Stacked Acceptor-Donor-Acceptor Molecular Triads (2019) (0)
- Autobiography of George C. Schatz (2009) (0)
- Exploring Novel Surface-Enhanced Raman Scattering Substrates Using Computational Electrodynamics (2007) (0)
- Quantum scattering studies of spin-orbit effects in the Cl({sup 2}P) + HCl {yields} ClH + Cl({sup 2}P) reaction (1998) (0)
- The JPC Periodic Table. (2019) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- Mode-Specific Chemistry in the H + HCN and H + N2O Reactions (1996) (0)
- Time delays, phase behavior, and resonances in the collinear H + H$sub 2$ exchange reaction (1972) (0)
- The Journal of Physical Chemistry Letters, The FIRST Impact. (2012) (0)
- Retirement as Editor-in-Chief. (2019) (0)
- Design principles for efficient singlet fission in anthracene-based organic semiconductors (2019) (0)
- Celebrating Our 120th Anniversary. (2016) (0)
- EFRC feature articles (2014) (0)
- JPCL: A Dynamic Journal with a Global Reach. (2019) (0)
- Charge transport through extended molecular wires with strongly correlated electrons (2021) (0)
- Editorial for January 2011 forJPC A/B/C (2011) (0)
- Ethical responsibilities for authors in the journal of physical chemistry (2007) (0)
- Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization. (2009) (0)
- SCIENCE AND TECHNOLOGY OF ULTRANANOCRYSTALLINE DIAMOND FILMS FOR MULTIFUNCTIONAL MEMS/NEMS DEVICES (2004) (0)
- Coupling classical electrodynamics with quantum mechanics for metal particle optical properties (2011) (0)
- Colleagues of Bruce C. Garrett. (2016) (0)
- Venkataramani Temperature Magnetic Bistability of Molecules in Homogeneous Solution at Room (2013) (0)
- Assessing MWCNT-graphene surface energy through in situ SEM peeling (2014) (0)
- Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a (2009) (0)
- Surface enhanced infrared absorption by nanoparticles (2005) (0)
- Quantum Chemistry Part II (2004) (0)
- The Refraction of Surface Plasmon Polaritons (2013) (0)
- Virtual Issue in Memory of Ahmed Zewail. (2016) (0)
- Emerging Themes in Biophysical Chemistry. (2012) (0)
- Generation of entangled-photons by a quantum dot cascade source in polarized cavities: Using cavity resonances to boost signals and preserve the entanglements. (2023) (0)
- What Does "Important New Physical Insights" Mean? Tips for Writing Better Papers. (2017) (0)
- Quasiclassical Trajectory Study of the O(3P) + CO2(1Σg+) Reaction at Hyperthermal Energies. (2021) (0)
- Editorial: 2017 in Perspective. (2018) (0)
- Plasmon-enhanced Solar Chemistry: Electrodynamics and Quantum Mechanics (2013) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
- Direct Observation of the Pressure-Induced Structural Variation in Gold Nanoclusters and the Correlated Optical Response. (2022) (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)
- Far-field coupling between moiré photonic lattices. (2023) (0)
- Mechanism of Long-Range Energy Transfer from Quantum Dots to Black Phosphorus (2021) (0)
- Dynamical effective medium model of metal nanosphere aggregates (2000) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Plasmon enhanced dye-sensitized solar cells: Current status and multiscale modeling (2010) (0)
- Molecular Modeling and Electronic Structure Calculations (2017) (0)
- A Prolific First Five Years (2015) (0)
- Wave Functions , Density Functionals , and Arti fi cial Intelligence for Materials and Energy Research : Future Prospects and Challenges Mart í n (2018) (0)
- A prominent enzyme. (1982) (0)
- [Illinois] Surface enhanced spectroscopy and chemistry: theoretical studies (2016) (0)
- Finite-difference frequency-domain study of subwavelength lensing in left-handed materials (2006) (0)
- Virtual Issue on New Physical Insights. (2018) (0)
- Editorial for January 2015 for JPC A/B/C. (2015) (0)
- a-and b-Stilbenosides as base-pair surrogates in DNA hairpins † (2005) (0)
- Plasmon amplified absorption in dye-sensitized solar cells (2007) (0)
- Atomic-Site-Specific Surface Valence-Band Structure from X-Ray Standing-Wave Excited Photoemission. (2022) (0)
- Survivability of POSS ( Polyhedral Oligomeric Silsesquioxane ) Polyimides (2005) (0)
- Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures (2014) (0)
- Localized Surface Plasmons in Nanoparticles (2020) (0)
- Quantitative Relationships between Film Morphology, Charge Carrier Dynamics, and Photovoltaic Performance in Bulk-Heterojunction Binary vs Ternary Acceptor Blends (2023) (0)
- Localized surface plasmon resonance biosensor for substrate binding to cytochrome P450 proteins (2007) (0)
- Utilizing Ultraviolet Photons to Generate Single-Photon Emitters in Semiconductor Monolayers. (2022) (0)
- Increasing the Impact of Published Work. Introducing ACS LiveSlides (2013) (0)
- Calculating exciton downconversion rates in Coulombically coupled chromophores (2015) (0)
- Computational and Experimental Studies of Gold Nanoparticle Templated HDL-Like Nanoparticles for Cholesterol Metabolism (2017) (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)
- Resonant-enhanced localized surface plasmon resonance spectroscopy (2006) (0)
- Virtual Issue in Memory of Ahmed Zewail. (2016) (0)
- Melting behavior of DNA-linked polymers (2006) (0)
- Editorial for January 2019 for JPC A/B/C. (2019) (0)
- QM/MM studies of gas-liquid collisional energy transfer (2012) (0)
- CALCULATED THERMAL AND VIBRATIONALLY EXCITED RATE CONSTANTS FOR $O(^{3}P) + H_{2}, D_{2}$, AND HD (1984) (0)
- Near-field optical properties of Au-Nanocubes: confinement of hot and cold spots (2012) (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)
- New subsections for JPC A/B/C and JPC letters. (2012) (0)
- Intersystem crossing effects in reactions of O and S with small molecules (2005) (0)
- Virtual Issue in Honor of Prof. Richard Van Duyne (1945-2019). (2020) (0)
- Nonlinear Optical Effects in Periodic Arrays of Nanoholes in Metallic Films (2007) (0)
- [Illinois] Plasmonics and Its Applications Workshop 2016 (2016) (0)
- Looking Beyond the First Anniversary. (2011) (0)
- The JPC Periodic Table. (2019) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- Analysis of TiO 2 Atomic Layer Deposition Surface Chemistry and Evidence of Propene Oligomerization Using Surface-Enhanced Raman Spectroscopy (2018) (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)
- Perspective Collections in the Limelight. (2017) (0)
- Radial deformation of carbon nanotubes in supersonic collisions with a silicon surface (2010) (0)
- Photo-induced Current through Molecular Junction in the Weak Molecule-Lead Coupling Limit (2018) (0)
- Excited State Nonadiabatic Molecular Dynamics of Hot Electron Addition to Water Clusters in the Ultrafast Femtosecond Regime. (2023) (0)
- Multiple sharp lattice plasmon modes in 2D Au nanoparticle superlattices (2015) (0)
- [Illinois] Silver and Gold Nanoparticles: New Directions for Theory (2015) (0)
- Melting mechanisms of DNA-linked nanocomposite systems (2005) (0)
- An Exact Quantum Study of Vibrational Deactivation by Reactive and Nonreactive Collisions in the Collinear Isotopic H + FH Systems. (1976) (0)
- Coupled states distorted wave study of the O(/sup 3/P)+H/sub 2/ (D/sub 2/, HD, DH) reaction (1985) (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)
- Crossed‐Beams and Theoretical Studies of Hyperthermal Reactions of O(3P)with HCl and H2O (2011) (0)
- Greg Scholes Takes over as Deputy Editor of JPC Letters. (2016) (0)
- 3D FDTD modeling of surface plasmons at single nanoholes in metal films (2004) (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)
- Quantitative Determination of the Di ff erential Raman Scattering Cross Sections of Glucose by Femtosecond Stimulated Raman Scattering (2017) (0)
- Research data for MD Simulations of RNA CUG repeats (2015) (0)
- Theoretical studies of chemical reactions: dynamics (1988) (0)
- Quantum reactive scattering study of Mu+H/sub 2/. -->. MuH+H (1985) (0)
- Effect of defects on the mechanical properties of carbon nanotubes (2007) (0)
- Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system (2022) (0)
- Introducing Viewpoints in The Journal of Physical Chemistry A/B/C. (2015) (0)
- Introducing Viewpoints in The Journal of Physical Chemistry A/B/C. (2015) (0)
- MICROSCOPIC MECHANISMS AND DYNAMICS SIMULATIONS OF O+(4S3/2) REACTING WITH METHANE (2006) (0)
- DNA nanoparticle assembly enables unprecedented control over photonic crystal fabrication (2015) (0)
- Enhanced Electromagnetic and Chemical/Biological Sensing. Properties of Atomic Cluster-Derived Materials (2003) (0)
- Theoretical studies of the O2 + methane, ethane and propane reactions (2004) (0)
- Mechanical nanolattices printed using nanocluster-based photoresists (2022) (0)
- International Year of the Periodic Table from a Physical Chemistry Perspective. (2019) (0)
- Chemical and Biological Engineering (2011) (0)
- Ab initio calculation of the rate constant for the OH+H/sub 2/. -->. H/sub 2/O+H reaction (1980) (0)
- Ab initio determination of the rate constant for H+H/sub 2/CO. -->. H/sub 2/+HCO (1982) (0)
- Chemistry computer center. (1980) (0)
- O2(X3 Sigma- sub g) and O2(a1 Delta sub g) Charge Exchange with Simple Ions (Postprint) (2014) (0)
- Low‐Density 2D Superlattices Assembled via Directional DNA Bonding (2021) (0)
- Correction to Growth Dynamics for DNA-Guided Nanoparticle Crystallization (2014) (0)
- Evaluation of fitting functions for the representation of an O(/sup 3/P)+H/sub 2/ potential energy surface. I (1981) (0)
- Non-Adiabatic Dynamics in the O+H2 Reaction: A Timeindependent Quantum Mechanical Study (2004) (0)
- Theories of plasmon enhanced optical processes important in solar energy (2012) (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)
- Real-time tunable lasing-SI (2015) (0)
- Fluorescent copolymer aggregate sensor for lithium chloride (2023) (0)
- Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions (2020) (0)
- S 1 Supporting Information for Hyperthermal O-Atom Exchange Reaction O 2 + CO 2 through a CO 4 Intermediate (2009) (0)
- BioProgrammable One, Two, and Three Dimensional Materials (2017) (0)
- Celebrating Our 120th Anniversary. (2016) (0)
- Hyperthermal chemistry in the gas phase and on surfaces (2005) (0)
- Virtual Issue on Physical Chemistry in South Korea. (2018) (0)
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Other Resources About George C. Schatz
What Schools Are Affiliated With George C. Schatz?
George C. Schatz is affiliated with the following schools:
- Delft University of Technology
- Nanyang Technological University
- University of Utah
- Rensselaer Polytechnic Institute
- Pusan National University
- University of California, Berkeley
- Weizmann Institute of Science
- Northwestern University
- California Institute of Technology
- Sungkyunkwan University
- Banaras Hindu University
- Northwestern University
- Free University of Berlin
- University of Kansas
