Kwang Soo Kim
#54,377
Most Influential Person Now
South Korean scientist
Kwang Soo Kim's AcademicInfluence.com Rankings
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Physics
Kwang Soo Kim's Degrees
- Bachelors Physics Seoul National University
- Masters Physics Seoul National University
Why Is Kwang Soo Kim Influential?
(Suggest an Edit or Addition)According to Wikipedia, Kwang Soo Kim is a South Korean professor in chemistry, an adjunct professor in physics, and the director of Center for Superfunctional Materials , of Ulsan National Institute of Science and Technology in South Korea. He received his B.S. and M.S. degrees in Applied Chemistry from Seoul National University and also an M.S. degree in Physics from Korea Advanced Institute of Science and Technology . He obtained his Ph.D. degree from University of California, Berkeley . His research fields include Theoretical/Computational Chemistry/Physics and Experimental Nanosciences.
Kwang Soo Kim'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
- Large-scale pattern growth of graphene films for stretchable transparent electrodes (2009) (9484)
- Roll-to-roll production of 30-inch graphene films for transparent electrodes. (2010) (6137)
- Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications. (2012) (3254)
- Water-dispersible magnetite-reduced graphene oxide composites for arsenic removal. (2010) (1737)
- Noncovalent Functionalization of Graphene and Graphene Oxide for Energy Materials, Biosensing, Catalytic, and Biomedical Applications. (2016) (1640)
- 30 inch Roll-Based Production of High-Quality Graphene Films for Flexible Transparent Electrodes (2009) (1581)
- Tuning the graphene work function by electric field effect. (2009) (1205)
- Theory and applications of computational chemistry : the first forty years (2005) (922)
- Perovskite solar cells with atomically coherent interlayers on SnO2 electrodes (2021) (918)
- Zero-dimensional, one-dimensional, two-dimensional and three-dimensional nanostructured materials for advanced electrochemical energy devices (2012) (789)
- Imidazolium receptors for the recognition of anions. (2006) (681)
- Prediction of very large values of magnetoresistance in a graphene nanoribbon device. (2008) (657)
- Nickel-Based Electrocatalysts for Energy-Related Applications: Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution Reactions (2017) (652)
- Enhanced Differentiation of Human Neural Stem Cells into Neurons on Graphene (2011) (624)
- Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems. (2007) (542)
- Ultrathin Single-Crystalline Silver Nanowire Arrays Formed in an Ambient Solution Phase (2001) (519)
- Highly selective adsorption of Hg2+ by a polypyrrole-reduced graphene oxide composite. (2011) (513)
- Unique sandwich stacking of pyrene-adenine-pyrene for selective and ratiometric fluorescent sensing of ATP at physiological pH. (2009) (509)
- Fast DNA sequencing with a graphene-based nanochannel device. (2011) (502)
- Environmental applications using graphene composites: water remediation and gas adsorption. (2013) (420)
- Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity (2018) (389)
- Rhodamine-based Hg2+-selective chemodosimeter in aqueous solution: fluorescent OFF-ON. (2007) (382)
- Recent progress in the development of anode and cathode catalysts for direct methanol fuel cells (2013) (378)
- Reduced graphene oxide-based hydrogels for the efficient capture of dye pollutants from aqueous solutions (2013) (356)
- Single Atoms and Clusters Based Nanomaterials for Hydrogen Evolution, Oxygen Evolution Reactions, and Full Water Splitting (2019) (354)
- Engineered Carbon-Nanomaterial-Based Electrochemical Sensors for Biomolecules. (2016) (354)
- Enhanced Cr(vi) removal using iron nanoparticle decorated graphene. (2011) (327)
- Near-field focusing and magnification through self-assembled nanoscale spherical lenses (2009) (320)
- UV/ozone-oxidized large-scale graphene platform with large chemical enhancement in surface-enhanced Raman scattering. (2011) (309)
- Surface-directed molecular assembly of pentacene on monolayer graphene for high-performance organic transistors. (2011) (284)
- Highly selective CO2 capture on N-doped carbon produced by chemical activation of polypyrrole functionalized graphene sheets. (2012) (276)
- Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: Origins of ductility of gold and gold-silver alloy formation (2003) (258)
- Fluorescent GTP-sensing in aqueous solution of physiological pH. (2004) (253)
- Graphene–SnO2 composites for highly efficient photocatalytic degradation of methylene blue under sunlight (2012) (241)
- Work-Function Engineering of Graphene Electrodes by Self-Assembled Monolayers for High-Performance Organic Field-Effect Transistors. (2011) (231)
- Theoretical Investigations of Anion−π Interactions: The Role of Anions and the Nature of π Systems (2004) (227)
- Tripodal nitro-imidazolium receptor for anion binding driven by (C-H)+- - -X- hydrogen bonds. (2002) (225)
- Structures, binding energies, and spectra of isoenergetic water hexamer clusters: Extensive ab initio studies (1998) (224)
- Revisiting small clusters of water molecules (1986) (224)
- Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer (2000) (220)
- Comprehensive Energy Analysis for Various Types of π-Interaction. (2009) (218)
- Selective-area fluorination of graphene with fluoropolymer and laser irradiation. (2012) (214)
- Single‐Gate Bandgap Opening of Bilayer Graphene by Dual Molecular Doping (2012) (213)
- A calix[4]imidazolium[2]pyridine as an anion receptor. (2005) (210)
- Highly selective CO2 capture by S-doped microporous carbon materials (2014) (203)
- Cation-π Interactions: A Theoretical Investigation of the Interaction of Metallic and Organic Cations with Alkenes, Arenes, and Heteroarenes (2003) (200)
- Transparent Flexible Organic Transistors Based on Monolayer Graphene Electrodes on Plastic (2011) (181)
- One‐Step Synthesis of CoS‐Doped β‐Co(OH)2@Amorphous MoS2+x Hybrid Catalyst Grown on Nickel Foam for High‐Performance Electrochemical Overall Water Splitting (2016) (174)
- Comparative ab initio study of the structures, energetics and spectra of X−⋅(H2O)n=1–4 [X=F, Cl, Br, I] clusters (2000) (174)
- Ab initio studies of the water dimer using large basis sets: The structure and thermodynamic energies (1992) (170)
- High‐Performance Hydrogen Evolution by Ru Single Atoms and Nitrided‐Ru Nanoparticles Implanted on N‐Doped Graphitic Sheet (2019) (165)
- Stable platinum nanoclusters on genomic DNA–graphene oxide with a high oxygen reduction reaction activity (2013) (165)
- Substituent effects on the edge-to-face aromatic interactions. (2005) (159)
- Mesoporous Silicon Hollow Nanocubes Derived from Metal-Organic Framework Template for Advanced Lithium-Ion Battery Anode. (2017) (155)
- Chromium porphyrin arrays as spintronic devices. (2011) (155)
- New fluorescent photoinduced electron transfer chemosensor for the recognition of H2PO4-. (2003) (150)
- Induction-driven stabilization of the anion-π interaction in electron-rich aromatics as the key to fluoride inclusion in imidazolium-cage receptors. (2011) (149)
- Tuning molecular orbitals in molecular electronics and spintronics. (2010) (147)
- Highly effective fluorescent sensor for H2PO4(-). (2004) (144)
- Ambipolar Memory Devices Based on Reduced Graphene Oxide and Nanoparticles (2010) (143)
- Highly stable CO2/N2 and CO2/CH4 selectivity in hyper-cross-linked heterocyclic porous polymers. (2014) (140)
- Control of Graphene Field‐Effect Transistors by Interfacial Hydrophobic Self‐Assembled Monolayers (2011) (132)
- Quasi-continuous growth of ultralong carbon nanotube arrays. (2005) (127)
- Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes (2008) (125)
- Graphene‐Encapsulated Nanoparticle‐Based Biosensor for the Selective Detection of Cancer Biomarkers (2011) (124)
- Multi-heteroatom-doped carbon from waste-yeast biomass for sustained water splitting (2020) (122)
- Molecular recognition of fluoride anion: benzene-based tripodal imidazolium receptor. (2003) (120)
- Insights into the Structures, Energetics, and Vibrations of Monovalent Cation-(Water)1-6 Clusters † (2004) (118)
- Eigen and Zundel forms of small protonated water clusters: structures and infrared spectra. (2007) (118)
- Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices. (2009) (117)
- Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions (2013) (117)
- STRUCTURES AND ENERGETICS OF THE WATER HEPTAMER : COMPARISON WITH THE WATER HEXAMER AND OCTAMER (1999) (115)
- Simultaneous transfer and doping of CVD-grown graphene by fluoropolymer for transparent conductive films on plastic. (2012) (112)
- Highly Efficient Oxygen Reduction Reaction Activity of Graphitic Tube Encapsulating Nitrided CoxFey Alloy (2018) (111)
- Effects of cage shape and size of 8-membered ring molecular sieves on their deactivation in methanol-to-olefin (MTO) reactions (2008) (111)
- STRUCTURES, ENERGETICS, AND SPECTRA OF AQUA-SODIUM(I) : THERMODYNAMIC EFFECTS AND NONADDITIVE INTERACTIONS (1995) (111)
- Size control of semimetal bismuth nanoparticles and the UV-visible and IR absorption spectra. (2005) (110)
- What is the global minimum energy structure of the water hexamer? The importance of nonadditive interactions (1994) (109)
- Controlling ferromagnetic easy axis in a layered MoS2 single crystal. (2013) (107)
- Structures, spectra, and electronic properties of halide-water pentamers and hexamers, X−(H2O)5,6 (X=F,Cl,Br,I): Ab initio study (2002) (107)
- Improved field emission properties of double-walled carbon nanotubes decorated with Ru nanoparticles (2009) (104)
- Charge transfer to solvent (CTTS) energies of small X−(H2O)n=1–4 (X=F, Cl, Br, I) clusters: Ab initio study (2000) (100)
- Hydrogen-release mechanisms in lithium amidoboranes. (2009) (99)
- Fullerol-titania charge-transfer-mediated photocatalysis working under visible light. (2009) (98)
- Simple and Scalable Mechanochemical Synthesis of Noble Metal Catalysts with Single Atoms toward Highly Efficient Hydrogen Evolution (2020) (96)
- First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects. (2012) (96)
- Radioactive iodine capture and storage from water using magnetite nanoparticles encapsulated in polypyrrole. (2018) (95)
- A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O)2 (1999) (95)
- Dissociation chemistry of hydrogen halides in water. (2004) (94)
- Enhanced resolution beyond the Abbe diffraction limit with wavelength-scale solid immersion lenses. (2010) (93)
- Characterization of weak NH-pi intermolecular interactions of ammonia with various substituted pi-systems. (2006) (92)
- Structures, energetics, and spectra of fluoride–water clusters F−(H2O)n, n=1–6: Ab initio study (1999) (91)
- Cation-pi-anion interaction: a theoretical investigation of the role of induction energies. (2007) (90)
- Structures and spectra of iodide-water clusters I-(H2O)(n=1-6): An ab initio study (2001) (89)
- Synthesis and electrical characterization of magnetic bilayer graphene intercalate. (2011) (87)
- Quinoxaline-imidazolium receptors for unique sensing of pyrophosphate and acetate by charge transfer. (2007) (87)
- Magic and antimagic protonated water clusters: exotic structures with unusual dynamic effects. (2006) (86)
- Gap Opening of Graphene by Dual FeCl3-Acceptor and K-Donor Doping (2011) (85)
- High-Affinity-Assisted Nanoscale Alloys as Remarkable Bifunctional Catalyst for Alcohol Oxidation and Oxygen Reduction Reactions. (2017) (85)
- Evaporation‐Free Nonfullerene Flexible Organic Solar Cell Modules Manufactured by An All‐Solution Process (2019) (84)
- Selective n-type doping of graphene by photo-patterned gold nanoparticles. (2011) (84)
- Anthracene derivatives bearing two urea groups as fluorescent receptors for anions (2005) (84)
- Calix[n]imidazolium as a new class of positively charged homo-calix compounds (2013) (82)
- Fluorescent imidazolium receptors for the recognition of pyrophosphate (2006) (82)
- Carbon nanotube, graphene, nanowire, and molecule‐based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theory (2007) (82)
- Assembling phenomena of calix[4]hydroquinone nanotube bundles by one-dimensional short hydrogen bonding and displaced pi-pi stacking. (2002) (81)
- Anthracene derivatives bearing thiourea and glucopyranosyl groups for the highly selective chiral recognition of amino acids: opposite chiral selectivities from similar binding units. (2008) (81)
- Selective fluorescent detection of RNA in living cells by using imidazolium-based cyclophane. (2013) (80)
- Reversible CO2 adsorption by an activated nitrogen doped graphene/polyaniline material (2013) (80)
- Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction (2015) (79)
- Highly efficient organic photocatalysts discovered via a computer-aided-design strategy for visible-light-driven atom transfer radical polymerization (2018) (79)
- Cyameluric Acid as Anion-π Type Receptor for ClO4(-) and NO3(-): π-Stacked and Edge-to-Face Structures. (2008) (79)
- Structures, energetics, and spectra of electron–water clusters, e−–(H2O)2–6 and e−–HOD(D2O)1–5 (2003) (78)
- Graphene-nanoplatelets-supported NiFe-MOF: high-efficiency and ultra-stable oxygen electrodes for sustained alkaline anion exchange membrane water electrolysis (2020) (78)
- Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein. (2010) (77)
- Aqua–potassium(I) complexes: Ab initio study (1999) (77)
- Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation aid (2019) (77)
- Interactions of CO2 with various functional molecules. (2015) (77)
- NOVEL STRUCTURES FOR THE EXCESS ELECTRON STATE OF THE WATER HEXAMER AND THE INTERACTION FORCES GOVERNING THE STRUCTURES (1997) (76)
- Quantum mechanical probabilistic structure of the benzene-water complex (1997) (75)
- Highly selective and stable carbon dioxide uptake in polyindole-derived microporous carbon materials. (2013) (74)
- Extremely stable graphene electrodes doped with macromolecular acid (2018) (74)
- Noncovalent Interactions of DNA Bases with Naphthalene and Graphene. (2013) (74)
- Origin of the magic numbers of water clusters with an excess electron. (2005) (74)
- Control of the π plasmon in a single layer graphene by charge doping (2011) (74)
- Triazine-Based Microporous Polymers for Selective Adsorption of CO2 (2015) (73)
- Ruthenium Core–Shell Engineering with Nickel Single Atoms for Selective Oxygen Evolution via Nondestructive Mechanism (2021) (73)
- Crystal Structure of Δ5-3-Ketosteroid Isomerase from Pseudomonas testosteroni in Complex with Equilenin Settles the Correct Hydrogen Bonding Scheme for Transition State Stabilization* (1999) (72)
- Van der Waals Epitaxial Double Heterostructure: InAs/Single‐Layer Graphene/InAs (2013) (72)
- Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation? (2014) (72)
- Versatile p-Type Chemical Doping to Achieve Ideal Flexible Graphene Electrodes. (2016) (72)
- Fluorescent imidazolium-based cyclophane for detection of guanosine-5'-triphosphate and I(-) in aqueous solution of physiological pH. (2011) (70)
- Investigation of structure and mechanical properties of TiZrHfNiCuCo high entropy alloy thin films synthesized by magnetron sputtering (2019) (70)
- 2-dimensional analytic approach for anion differentiation with chromofluorogenic receptors. (2007) (70)
- Interconnected Pt-nanodendrite/DNA/reduced-graphene-oxide hybrid showing remarkable oxygen reduction activity and stability. (2013) (70)
- Quantum size effects in the volume plasmon excitation of bismuth nanoparticles investigated by electron energy loss spectroscopy (2006) (69)
- Ab initio study of hydrated sodium halides NaX(H2O)(1-6) (X=F, Cl, Br, and I). (2006) (69)
- Immiscible bi-metal single-atoms driven synthesis of electrocatalysts having superb mass-activity and durability (2020) (68)
- Ab initio study of the complexation of benzene with ammonium cations (1995) (67)
- Nature of one-dimensional short hydrogen bonding: bond distances, bond energies, and solvent effects. (2004) (67)
- Water dimer to pentamer with an excess electron: Ab initio study (1999) (67)
- Electric field effects on water clusters (n = 3-5): systematic ab initio study of structures, energetics, and transition states. (2006) (66)
- Negative differential resistance of carbon nanotube electrodes with asymmetric coupling phenomena (2007) (65)
- Structure-mechanism-based engineering of chemical regulators targeting distinct pathological factors in Alzheimer's disease (2016) (65)
- Rules and trends of metal cation driven hydride-transfer mechanisms in metal amidoboranes. (2010) (65)
- Extracting subnanometer single shells from ultralong multiwalled carbon nanotubes. (2005) (64)
- Structures and electronic properties of small carbon nanotube tori (2000) (64)
- Accelerated Bone Regeneration by Two-Photon Photoactivated Carbon Nitride Nanosheets. (2017) (63)
- Role of Lewis Acid(AlCl3)−Aromatic Ring Interactions in Friedel−Craft's Reaction: An ab Initio Study (1998) (63)
- Molecular Cluster Bowl To Enclose a Single Electron (1997) (63)
- Interaction of Benzene with Transition Metal Cations: Theoretical Study of Structures, Energies, and IR Spectra. (2009) (63)
- How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions? (2011) (63)
- Synthesis of N-doped microporous carbon via chemical activation of polyindole-modified graphene oxide sheets for selective carbon dioxide adsorption (2013) (62)
- Anisole-(H2O)n(n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (2002) (62)
- Entropy-driven structures of the water octamer (1994) (61)
- Nanowires for spintronics: A study of transition-metal elements of groups 8–10 (2004) (61)
- Harmonic vibrational frequencies of the water monomer and dimer: Comparison of various levels of ab initio theory (1995) (61)
- Machine Learning for Predicting the Band Gaps of ABX3 Perovskites from Elemental Properties (2020) (60)
- Intramolecular charge transfer of π-conjugated push–pull systems in terms of polarizability and electronegativity (2001) (60)
- Designing Ionophores and Molecular Nanotubes Based on Molecular Recognition (2007) (60)
- Simultaneous visualization of graphene grain boundaries and wrinkles with structural information by gold deposition. (2014) (60)
- Structures, energetics, and spectra of hydrated hydroxide anion clusters. (2004) (60)
- Two dimensional molecular electronics spectroscopy for molecular fingerprinting, DNA sequencing, and cancerous DNA recognition. (2014) (60)
- High-resolution spatial mapping of the temperature distribution of a Joule self-heated graphene nanoribbon (2011) (59)
- Single crystal structure of copper hexadecafluorophthalocyanine (F16CuPc) ribbon. (2010) (58)
- Synthesis of single-crystal tetra(4-pyridyl)porphyrin rectangular nanotubes in the vapor phase. (2009) (58)
- Ab initio studies of the water hexamer: near degenerate structures (1991) (58)
- Ring Opening Dynamics of a Photochromic Diarylethene Derivative in Solution (2003) (57)
- Clean Transfer of Wafer-Scale Graphene via Liquid Phase Removal of Polycyclic Aromatic Hydrocarbons. (2015) (57)
- NOVEL AMPHI-IONOPHORES (1998) (57)
- Solvent-Driven Structural Changes in Anion-π Complexes. (2008) (57)
- A highly selective fluorescent chemosensor for guanosine-5'-triphosphate via excimer formation in aqueous solution of physiological pH. (2012) (57)
- Effect of dimensionality on the electronic structure of Cu, Ag, and Au (2003) (56)
- Photoswitch and nonlinear optical switch: Theoretical studies on 1,2-bis-(3-thienyl)-ethene derivatives (1999) (56)
- Water Dimer Cation: Density Functional Theory vs Ab Initio Theory. (2009) (56)
- How Different are Electron-Rich and Electron-Deficient π Interactions? (2010) (55)
- Antimony(III) Sulfide Thin Films as a Photoanode Material in Photocatalytic Water Splitting. (2016) (55)
- Structures, energies, and vibrational spectra of water undecamer and dodecamer: An ab initio study (2001) (55)
- Fluorobenzene⋯water and difluorobenzene⋯water systems: An ab initio investigation (1999) (55)
- Stochastic evaluation of second-order many-body perturbation energies. (2012) (54)
- Ab Initio Study of the Structures, Energetics, and Spectra of Aquazinc(II) (1996) (54)
- Benzene-hydrogen halide interactions: Theoretical studies of binding energies, vibrational frequencies, and equilibrium structures (1998) (54)
- N-Protonation vs O-Protonation in Strained Amides: Ab Initio Study (1997) (54)
- Recent Advancement of p‐ and d‐Block Elements, Single Atoms, and Graphene‐Based Photoelectrochemical Electrodes for Water Splitting (2020) (53)
- New imidazolium systems bearing two pyrene groups as fluorescent chemosensors for anions and anion induced logic gates (2007) (53)
- Theoretical Investigation of Normal to Strong Hydrogen Bonds (2005) (53)
- Vibrational spectra and electron detachment energy of the anionic water hexamer (2000) (53)
- Water-Stable, Fluorescent Organic−Inorganic Hybrid and Fully Inorganic Perovskites (2018) (53)
- Understanding structures and electronic/spintronic properties of single molecules, nanowires, nanotubes, and nanoribbons towards the design of nanodevices (2008) (52)
- Activated carbon derived from waste coffee grounds for stable methane storage (2015) (52)
- Substrate-induced solvent intercalation for stable graphene doping. (2013) (51)
- Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems. (2014) (50)
- Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅OH): The 2A‘ and 2A’ minima (1991) (50)
- Ab initio study of the low-lying electronic states of Ag 3 ,A g 3 , and Ag 3 : A coupled-cluster approach (2000) (50)
- Role of molecular orbitals of the benzene in electronic nanodevices. (2005) (50)
- Intriguing pi(+)-pi Interaction in crystal packing. (2010) (49)
- Structures, energetics, and spectra of aqua-cesium (I) complexes: an ab initio and experimental study. (2007) (48)
- Structural characterization of ZnO films grown on SiO2 by the RF magnetron sputtering (2003) (48)
- Structures, energies, and spectra of aqua-silver (I) complexes (2003) (48)
- Structure, vertical electron-detachment energy, and O–H stretching frequencies of e+(H2O)12 (1997) (47)
- Effect of electrodes on electronic transport of molecular electronic devices. (2009) (46)
- CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition−Recombination Pathway (2011) (46)
- Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts (2020) (46)
- Graphene and Graphene Analogs toward Optical, Electronic, Spintronic, Green-Chemical, Energy-Material, Sensing, and Medical Applications. (2017) (45)
- Interface Engineering Driven Stabilization of Halide Perovskites against Moisture, Heat, and Light for Optoelectronic Applications (2020) (45)
- Label‐Free Polypeptide‐Based Enzyme Detection Using a Graphene‐Nanoparticle Hybrid Sensor (2012) (45)
- Tuning metal single atoms embedded in NxCy moieties toward high-performance electrocatalysis (2021) (44)
- Graphene–nanowire hybrid structures for high-performance photoconductive devices (2012) (44)
- Spin-induced band modifications of graphene through intercalation of magnetic iron atoms. (2014) (44)
- Interplay of local structure and magnetism in Co-doped TiO2 anatase (2004) (44)
- Dual Emission of Water‐Stable 2D Organic–Inorganic Halide Perovskites with Mn(II) Dopant (2019) (43)
- Orbital selective Fermi surface shifts and mechanism of high T(c) superconductivity in correlated AFeAs (A=Li, Na). (2012) (43)
- Aromatic Excimers: Ab Initio and TD-DFT Study. (2013) (43)
- Dissociative adsorption of water on the Si(001) surface: A first-principles study (2000) (43)
- Why Is MP2-Water "Cooler" and "Denser" than DFT-Water? (2016) (43)
- Electrochemical integration of amorphous NiFe (oxy)hydroxides on surface-activated carbon fibers for high-efficiency oxygen evolution in alkaline anion exchange membrane water electrolysis (2021) (43)
- Photoexcitation and photoionization dynamics of water photolysis. (2008) (43)
- A New Perspective on the Role of A‐Site Cations in Perovskite Solar Cells (2017) (42)
- Ab Initio Study of Benzene−BX3 (X = H, F, Cl) Interactions (1999) (42)
- Spatial structure of Au8: Importance of basis set completeness and geometry relaxation. (2006) (42)
- Fluorobenzene and p-difluorobenzene microsolvated by methanol: An infrared spectroscopic and ab initio theoretical investigation (2000) (42)
- Influence of intermolecular hydrogen bonding on water dissociation at the MgO(001) surface (2000) (41)
- Ring closure reaction dynamics of diarylethene derivatives in solution. (2007) (41)
- Solvent rearrangement for an excited electron of I−(H2O)6: Analog to structural rearrangement of e−(H2O)6 (2003) (41)
- The origin of dips for the graphene-based DNA sequencing device. (2011) (41)
- Catalytic mechanism of enzymes: preorganization, short strong hydrogen bond, and charge buffering. (2002) (41)
- An Electrochemically Controllable Nanomechanical Molecular System Utilizing Edge-to-Face and Face-to-Face Aromatic Interactions (2002) (41)
- Graphene Spin-Valve Device Grown Epitaxially on the Ni(111) Substrate: A First Principles Study (2011) (41)
- Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms. (2006) (40)
- Interaction of the water dimer with π-systems: A theoretical investigation of structures, energies, and vibrational frequencies (2000) (40)
- Antimony nanowires self-assembled from Sb nanoparticles (2004) (40)
- Precise tuning of cationic cyclophanes toward highly selective fluorogenic recognition of specific biophosphate anions. (2014) (40)
- Hydration phenomena of sodium and potassium hydroxides by water molecules. (2006) (39)
- Controllable n‐Type Doping on CVD‐Grown Single‐ and Double‐Layer Graphene Mixture (2015) (39)
- Water heptamer with an excess electron: Ab initio study (2003) (39)
- Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions (2001) (38)
- Nature of the interaction of paramagnetic atoms (A=4N,4P,3O,3S) with π systems and C60: A theoretical investigation of A⋅⋅⋅C6H6 and endohedral fullerenes A@C60 (2002) (38)
- Structural stabilities and self-assembly of Cucurbit[n]uril (n=4-7) and decamethylcucurbit[n]uril (n=4-6): A theoretical study (2001) (38)
- Structure, electronic properties, and vibrational spectra of the water octamer with an extra electron: Ab initio study (2002) (38)
- Towards molecular magnetic switching with an electric bias. (2007) (38)
- Quantum-mechanical probabilistic structure of the water dimer with an excess electron (1999) (38)
- Dynamics and structural changes of small water clusters on ionization (2013) (38)
- Fluorescent studies of two new binaphthyl-azacrown-anthracene fluorophores with metal ions and chiral guests : dual fluorescent detection via binaphthyl and anthracene groups (2007) (37)
- In Search of a Two-Dimensional Material for DNA Sequencing (2014) (37)
- Selective detection of guanosine-5'-triphosphate and iodide by fluorescent benzimidazolium-based cyclophanes. (2013) (37)
- Remarkably enhanced catalytic activity by the synergistic effect of palladium single atoms and palladium–cobalt phosphide nanoparticles (2020) (37)
- Magic structures and quantum conductance of [110] silver nanowires (2006) (37)
- Turn-on and Turn-off Fluorescent Probes for Carbon Monoxide Detection and Blood Carboxyhemoglobin Determination. (2018) (37)
- Ab Initio Study of s-trans-1,3-Butadiene Using Various Levels of Basis Set and Electron Correlation: Force Constants and Exponentially Scaled Vibrational Frequencies (1995) (36)
- Phenol vs Water Molecule Interacting with Various Molecules: σ-type, π-type, and χ-type Hydrogen Bonds, Interaction Energies, and Their Energy Components (2005) (36)
- cyclo-Bis(urea-3,6-dichlorocarbazole) as a chromogenic and fluorogenic receptor for anions and a selective sensor of zinc and copper cations. (2011) (36)
- Vibrational frequencies of the HCCN molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries (1983) (36)
- Intercalation of Transition Metals into Stacked Benzene Rings: A Model Study of the Intercalation of Transition Metals into Bilayered Graphene. (2012) (36)
- Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways (2021) (36)
- Study of interactions of various ionic species with solvents toward the design of receptors (2006) (35)
- Monatomic chemical-vapor-deposited graphene membranes bridge a half-millimeter-scale gap. (2014) (35)
- Zn(H2O)2+6 is very stable among aqua-Zn(II) ions (1992) (35)
- Persistent topological surface state at the interface of Bi2Se3 film grown on patterned graphene. (2014) (34)
- Hydrated copper and gold monovalent cations: Ab initio study. (2005) (34)
- First-principles study of the adsorption ofC2H2andC2H4on Si(100) (2001) (34)
- Do N-heterocyclic aromatic rings prefer π-stacking? (2011) (34)
- Extended Drude model analysis of noble metals (2007) (34)
- Sodium(1+) and potassium(1+) ion transport through a solvated gramicidin A transmembrane channel: molecular dynamics studies using parallel processors (1985) (33)
- Starands vs Ketonands: Ab Initio Study (1996) (33)
- Can Electron-Rich π Systems Bind Anions? (2011) (33)
- Atomic structure and energetics of adsorbed water on the NaCl(001) surface (2004) (33)
- Ab initio study of hydrated potassium halides KX(H2O)1-6 (X=F,Cl,Br,I). (2007) (33)
- Tailoring Electronic and Magnetic Properties of MoS2 Nanotubes (2015) (33)
- Hydrogen Evolution: High-Performance Hydrogen Evolution by Ru Single Atoms and Nitrided-Ru Nanoparticles Implanted on N-Doped Graphitic Sheet (Adv. Energy Mater. 26/2019) (2019) (33)
- Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound. (2018) (32)
- Rational design of biologically important chemosensors: a novel receptor for selective recognition of acetylcholine over ammonium cations. (2003) (32)
- Lower Electric Field-Driven Magnetic Phase Transition and Perfect Spin Filtering in Graphene Nanoribbons by Edge Functionalization. (2016) (32)
- Ab initio study of superoxide anion—water clusters O2 − (H2O)n=1-5 (2002) (32)
- VIBRATIONAL SPECTRA OF ALL-TRANS-1,3,5,7-OCTATETRAENE (1995) (32)
- Hydration and dissociation of hydrogen fluoric acid (HF). (2006) (32)
- Electron Transport in Graphene Nanoribbon Field-Effect Transistor under Bias and Gate Voltages: Isochemical Potential Approach. (2016) (32)
- Crystalline-amorphous interface of mesoporous Ni2P@FePOxHy for oxygen evolution at high current density in alkaline-anion-exchange-membrane water-electrolyzer (2022) (31)
- Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory. (2011) (31)
- Cation Affinities of [16]Starand Model. Comparison with 12-Crown-4: Crucial Role of Dipolar Moiety Orientations (1998) (31)
- Energetics and hydration structures of a solvated gramicidin A transmembrane channel for potassium and sodium cations (1985) (31)
- Large-scale polyol synthesis of single-crystal bismuth nanowires and the role of NaOH in the synthesis process (2008) (30)
- Potential new high energy density materials: Cyclooctaoxygen O8, including comparisons with the well‐known cyclo‐S8 molecule (1990) (30)
- De novo design approach based on nanorecognition toward development of functional molecules/materials and nanosensors/nanodevices (2007) (30)
- Hemoglobin-carbon nanotube derived noble-metal-free Fe5C2-based catalyst for highly efficient oxygen reduction reaction (2016) (30)
- Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers. (2013) (30)
- Proximity Effect Induced Electronic Properties of Graphene on Bi₂Te₂Se. (2015) (30)
- Rotated domains in chemical vapor deposition-grown monolayer graphene on Cu(111): an angle-resolved photoemission study. (2013) (29)
- Rashba-Dresselhaus Effect in Inorganic/Organic Lead Iodide Perovskite Interfaces (2018) (29)
- Synthesis of dual porous structured germanium anodes with exceptional lithium-ion storage performance (2018) (29)
- Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals. (2015) (29)
- Charge-transfer-to-solvent-driven dissolution dynamics of I- (H2O)2-5 upon excitation: excited-state ab initio molecular dynamics simulations. (2008) (29)
- Theoretical Study of the Electron Transport in Graphene with Vacancy and Residual Oxygen Defects after High-Temperature Reduction (2011) (28)
- Covalent versus Charge Transfer Modification of Graphene/Carbon-Nanotubes with Vitamin B1: Co/N/S-C Catalyst toward Excellent Oxygen Reduction. (2016) (28)
- Graphene edges and beyond: temperature-driven structures and electromagnetic properties. (2015) (28)
- Origin of diastereoselectivity in the nitrile oxide cycloadditions with Oppolzer's chiral sultams: coulombic interaction as the key role in diastereofacial differentiation (1993) (28)
- Ab initio study of water hexamer anions (1996) (28)
- Stochastic evaluation of second-order Dyson self-energies. (2013) (28)
- Inverse transfer method using polymers with various functional groups for controllable graphene doping. (2014) (28)
- Neutral and Anionic Gold Decamers: Planar Structure with Unusual Spatial Charge-Spin Separation. (2009) (28)
- A Theoretical Investigation of Benzene−AlX3 and Ethene−AlX3 (X = H, F, Cl) Interactions (1999) (28)
- Insights into the structures, energetics, and vibrations of aqua-rubidium(I) complexes: ab initio study. (2004) (27)
- An imidazolium-based fluorescent cyclophane for the selective recognition of iodide. (2012) (27)
- Quencher-free molecular beacon: Enhancement of the signal-to-background ratio with graphene oxide. (2011) (27)
- Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters (2000) (27)
- Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface (2015) (27)
- Polyenes vs polyynes: Efficient π-frame for nonlinear optical pathways (2000) (27)
- Multiphotoluminescence from a Triphenylamine Derivative and Its Application in White Organic Light‐Emitting Diodes Based on a Single Emissive Layer (2019) (27)
- Weakly correlated one-dimensional indium chains on Si(111) (2001) (27)
- Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001). (2006) (27)
- Halogen-π Interactions between Benzene and X2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T). (2016) (26)
- Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)n and NH3(H2O)n-1 (n = 5, 8, 9, 21). Theoretical study. (2008) (26)
- Ab initio study of the isomerization of retinal chromophore and its derivatives (2002) (26)
- Modulation of Cu and Rh single-atoms and nanoparticles for high-performance hydrogen evolution activity in acidic media (2021) (26)
- Structural and Mechanistic Insights into Development of Chemical Tools to Control Individual and Inter-Related Pathological Features in Alzheimer's Disease. (2017) (26)
- Pt-like hydrogen evolution on a V2O5/Ni(OH)2 electrocatalyst (2019) (26)
- Ab initio molecular dynamics simulations of an excited state of X(-)(H(2)O)(3) (X = Cl, I) complex. (2005) (26)
- Surface enrichment of iridium on IrCo alloys for boosting hydrogen production (2021) (26)
- Tunable Photoluminescence across the Visible Spectrum and Photocatalytic Activity of Mixed-Valence Rhenium Oxide Nanoparticles. (2017) (26)
- Ab initio studies of π-water tetramer complexes: Evolution of optimal structures, binding energies, and vibrational spectra of π-(H2O)n (n=1–4) complexes (2001) (26)
- Hydrogenation-induced atomic stripes on the 2H- MoS2 surface (2015) (26)
- Compositional and Dimensional Control of 2D and Quasi‐2D Lead Halide Perovskites in Water (2019) (26)
- Theoretical Study of the Conformations and Strain Energies of [n,n]Metaparacyclophanes: Indication of Stable Edge-to-Face and Displaced Face-to-Face Conformers for n = 4. (1999) (26)
- Raman intensities of C=C stretching vibrational frequencies of polyenes: Nodal mode analysis (1997) (25)
- Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method (2018) (25)
- Drift-induced modifications to the dynamical polarization of graphene (2015) (25)
- σ to π conformational transition: Interactions of the water trimer with π systems (2001) (25)
- Efficient CO Oxidation by 50-Facet Cu2O Nanocrystals Coated with CuO Nanoparticles. (2017) (25)
- Comparison of cationic, anionic and neutral hydrogen bonded dimers. (2010) (25)
- Novel amphi-ionophore in aqueous solution: Cyclohexaalanyl (2002) (25)
- Relationship between spectral intensities and nonlinear optical properties (1997) (25)
- How can we make stable linear monoatomic chains? Gold-cesium binary subnanowires as an example of a charge-transfer-driven approach to alloying. (2007) (24)
- Structural basis of triclosan resistance. (2011) (24)
- Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation. (2018) (24)
- Ab initio studies of the conformations of methylamine and ethylenediamine: interaction forces affecting the structural stability (1994) (24)
- Linear monatomic wires stabilized by alloying:Ab initiodensity functional calculations (2003) (24)
- Self-organizing properties of triethylsilylethynyl-anthradithiophene on monolayer graphene electrodes in solution-processed transistors. (2013) (23)
- Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes. (2021) (23)
- A radical polymer as a two-dimensional organic half metal. (2010) (23)
- van der Waals isomers and ionic reactivity of the cluster system para-chlorofluorobenzene/methanol (2000) (23)
- Aqua dissociation nature of cesium hydroxide. (2004) (23)
- Water trimer cation (2011) (22)
- La-doped BaSnO3 electron transport layer for perovskite solar cells (2018) (22)
- Ab initio atomistic dynamical study of an excess electron in water (2001) (22)
- Ab initio studies of neutral and anionic p-benzoquinone–water clusters (2003) (22)
- Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations. (2008) (22)
- Homology modeling and molecular dynamics study of West Nile virus NS3 protease: A molecular basis for the catalytic activity increased by the NS2B cofactor (2006) (22)
- Solvent molecules trapped in supramolecular organic nanotubes: a combined solid-state NMR and DFT study (2004) (22)
- High-temperature in situ crystallographic observation of reversible gas sorption in impermeable organic cages (2015) (22)
- cyclo-Dodecaoxygen, O12: comparison with the experimentally characterized S12 molecule (1989) (22)
- Size scaling of intramolecular charge transfer driven optical properties of substituted polyenes and polyynes (2003) (22)
- Description of ground and excited electronic states by ensemble density functional method with extended active space. (2017) (22)
- Ideal conducting polymer anode for perovskite light-emitting diodes by molecular interaction decoupling (2019) (22)
- (R)-lipo-diaza-18-crown-6 self-assembled monolayer as a selective serotonin receptor. (2009) (21)
- A new type of ionophore family utilizing the cation-olefinic pi interaction: theoretical study of [n]beltenes. (2002) (21)
- Fluorogenic sensing of CH3CO2- and H2PO4- by ditopic receptor through conformational change. (2012) (21)
- Structure, stability, thermodynamic properties, and infrared spectra of the protonated water octamer H(+)(H2O)8. (2008) (21)
- Dissolution nature of cesium fluoride by water molecules. (2006) (21)
- Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostatics. (2010) (21)
- Interactions of neutral and cationic transition metals with the redox system of hydroquinone and quinone: theoretical characterization of the binding topologies, and implications for the formation of nanomaterials. (2006) (20)
- Aromatic-aromatic ring interaction revisited with model compounds of Wilcox. (1997) (20)
- Comparison of the nature of π and conventional H-bonds: a theoretical investigation (2002) (20)
- Brueckner-Goldstone quantum Monte Carlo for correlation energies and quasiparticle energy bands of one-dimensional solids (2014) (20)
- Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs. (2016) (20)
- An ultra-sensitive, flexible and transparent gas detection film based on well-ordered flat polypyrrole on single-layered graphene (2018) (20)
- Electronic structure of silver subnanowires in self-assembled organic nanotubes: Density functional calculations (2003) (20)
- Insights into the structure of cyclohexane from femtosecond degenerate four-wave mixing spectroscopy and ab initio calculations. (2003) (19)
- On effective methods to treat solvent effects in macromolecular mechanics and simulations (1989) (19)
- Erratum: “Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer” [J. Chem. Phys. 112, 9759 (2000)] (2001) (19)
- Diameter-and length-dependent volume plasmon excitation of bismuth nanorods investigated by electron energy loss spectroscopy (2007) (19)
- Theoretical Design of Nanomaterials and Nanodevices: Nanolensing, Supermagnetoresistance, and Ultrafast DNA Sequencing (2011) (19)
- Dissolution nature of the lithium hydroxide by water molecules. (2005) (19)
- Limit of metastability for liquid and vapor phases of water. (2014) (19)
- Bifunctional oxovanadate doped cobalt carbonate for high-efficient overall water splitting in alkaline-anion-exchange-membrane water-electrolyzer (2022) (19)
- One-step etching, doping, and adhesion-control process for graphene electrodes (2015) (19)
- pH-responsive self-duplex of (Py)A-substituted oligodeoxyadenylate in graphene oxide solution as a molecular switch. (2011) (19)
- Ground state structures and excited state dynamics of pyrrole-water complexes: ab initio excited state molecular dynamics simulations. (2008) (19)
- Turn-On Ratiometric Fluorescent Probe for Selective Discrimination of Cr(3+) from Fe(3+) in Aqueous Media for Living Cell Imaging. (2015) (18)
- Sulfur clusters: structure, infrared, and Raman spectra of cyclo-S6 and comparison with the hypothetical cyclo-O6 molecule (1992) (18)
- Efficient separation of C2 hydrocarbons in a permanently porous hydrogen-bonded organic framework. (2018) (18)
- Fast benchtop visualization of graphene grain boundaries using adhesive properties of defects. (2013) (18)
- Noncovalent Functionalization of Graphene (2014) (18)
- Interplay between many body effects and Coulomb screening in the optical bandgap of atomically thin MoS2. (2017) (18)
- Surface-Effect-Induced Optical Bandgap Shrinkage in GaN Nanotubes. (2015) (18)
- CATION AFFINITIES OF CYCLOHEXADEPSIPEPTIDE : AB INITIO STUDY (1999) (18)
- Structure, Stabilities, Thermodynamic Properties, and IR Spectra of Acetylene Clusters (C2H2)n=2-5. (2010) (18)
- Nature of anion-templated π(+)-π(+) interactions. (2011) (18)
- A pi-stacked phenylacetylene and 1,3,5-triazine heterodimer: a combined spectroscopic and ab initio investigation. (2009) (17)
- Efficient electron extraction of SnO2 electron transport layer for lead halide perovskite solar cell (2020) (17)
- Development of SiC‐Whisker‐Reinforced Lithium Aluminosilicate Matrix Composites by a Mixed Colloidal Processing Route (1992) (16)
- A Color Version of the Hinsberg Test: 1°–3° Amine Indicator (2007) (16)
- Effect of dimensionality on transition-metal elements of groups 3-7 (2006) (16)
- Na/Al Codoped Layered Cathode with Defects as Bifunctional Electrocatalyst for High-Performance Li-Ion Battery and Oxygen Evolution Reaction. (2021) (16)
- Quasi-Free-Standing Graphene Monolayer on a Ni Crystal through Spontaneous Na Intercalation (2014) (16)
- Adsorption structure of 1,4-cyclohexadiene on Si(001) (2002) (16)
- Molecular sensing using armchair graphene nanoribbon (2014) (16)
- A combined spectroscopic and ab initio investigation of phenylacetylene-methylamine complex. Observation of σ and π type hydrogen-bonded configurations and fluorescence quenching by weak C-H···N hydrogen bonding. (2010) (16)
- Hydrated hydride anion clusters. (2007) (16)
- Multi-site catalyst derived from Cr atoms-substituted CoFe nanoparticles for high-performance oxygen evolution activity (2021) (16)
- Observable structures of small neutral and anionic gold clusters. (2012) (16)
- Electronic symmetry breaking in polyatomic molecules. Multiconfiguration self‐consistent field study of the cyclopropenyl radical C3H3 (1984) (16)
- A thermally stable, barium-stabilized α-CsPbI3 perovskite for optoelectronic devices (2019) (16)
- Theoretical insights into the mechanism of acetylcholinesterase‐catalyzed acylation of acetylcholine (2005) (16)
- Violation of DNA neighbor exclusion principle in RNA recognition† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc03740a (2016) (15)
- Energetics and pattern analysis of crystals of proflavine deoxydinucleoside phosphate complex (1985) (15)
- Novel ionophores with 2n-crown-n topology: anion sensing via pure aliphatic C-H···anion hydrogen bonding. (2014) (15)
- Change of Internal Hydrogen Bonding of Methyl Red upon Photoisomerization Monitored by Forced Rayleigh Scattering (1999) (15)
- Why the hydration energy of Au+ is larger for the second water molecule than the first one: skewed orbitals overlap. (2005) (15)
- Origin of contrasting surface core-level shifts at the Be ( 101 ¯ 0 ) and Mg ( 101 ¯ 0 ) surfaces (2000) (15)
- Structures and energetics of Zn(NH3)2+n (n=4–6). Coordination number of Zn2+ by ammine (1993) (15)
- Ab initio investigations on the HOSO2+O2→SO3+HO2 reaction (2000) (15)
- Highly selective CO2 adsorption performance of carbazole based microporous polymers (2015) (15)
- Solution-processable conductive micro-hydrogels of nanoparticle/graphene platelets produced by reversible self-assembly and aqueous exfoliation (2013) (15)
- First principles and machine learning based superior catalytic activities and selectivities for N2 reduction in MBenes, defective 2D materials and 2D π-conjugated polymer-supported single atom catalysts (2021) (14)
- Anisotropic Charge Distribution and Anisotropic van der Waals Radius Leading to Intriguing Anisotropic Noncovalent Interactions (2014) (14)
- Structures, Energetics, and IR Spectra of Monohydrated Inorganic Acids: Ab initio and DFT Study. (2011) (14)
- Theoretical study of water adsorption on the Ge(100) surface (2002) (14)
- Oscillatory energetics of flat Ag films on MgO(001) (2001) (14)
- Intramolecular deformation of zeotype-borogermanate toward a three-dimensional porous germanium anode for high-rate lithium storage (2018) (14)
- Hydration analysis of the intercalated complex of deoxydinucleoside phosphate and proflavin: computer simulations (1985) (14)
- Understanding Clusters toward the Design of Functional Molecules and Nanomaterials (2007) (14)
- Functional molecules and materials by π‐Interaction based quantum theoretical design (2016) (14)
- Dissolution of a base (RbOH) by water clusters. (2004) (14)
- Entropy-driven structures of the hexaaqua-sodium(I) (1993) (14)
- Wavelength-dependent transmission through sharp 90 degrees bends in sub-wavelength metallic slot waveguides. (2010) (13)
- Size-dependent conformational change in halogen-π interaction: from benzene to graphene. (2017) (13)
- Al‐Doping Driven Suppression of Capacity and Voltage Fadings in 4d‐Element Containing Li‐Ion‐Battery Cathode Materials: Machine Learning and Density Functional Theory (2022) (13)
- Homology modeling and molecular dynamics study of chorismate synthase from Shigella flexneri. (2006) (13)
- Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10. (2009) (13)
- Low temperature growth of ZnO thin film on Si(100) substrates by metal organic chemical vapor deposition (2003) (13)
- Anion Binding by Electron-Deficient Arenes Based on Complementary Geometry and Charge Distribution. (2012) (13)
- Atomic scale study of black phosphorus degradation (2019) (13)
- Direct emission from quartet excited states triggered by upconversion phenomena in solid-phase synthesized fluorescent lead-free organic–inorganic hybrid compounds (2019) (13)
- Theoretical Study of Microscopic Molecular Structure of Helicenebisquinone Aggregates (2000) (13)
- Self-assembled organic nanotubes and self-synthesized silver subnanowire arrays in an ambient solution phase (2002) (13)
- Noncovalent Functionalization with Alkali Metal to Separate Semiconducting from Metallic Carbon Nanotubes: A Theoretical Study (2013) (13)
- Hydrogen-bonded array of NH2 on the Si(100) surface (2000) (13)
- First-order and continuous melting transitions in two-dimensional Lennard-Jones systems and repulsive disks. (2019) (13)
- Roles of central and terminal carbon atoms in infrared and Raman intensities of polyenes: Analysis of atomic polar and polarizability tensors (1997) (12)
- Geometrical and Electronic Characteristics of AunO2– (n = 2–7) (2015) (12)
- Erratum: “Structures, energies, and vibrational spectra of water undecamer and dodecamer: An ab initio study” [J. Chem. Phys. 114, 10749 (2001)] (2001) (12)
- An efficient non-reaction based colorimetric and fluorescent probe for the highly selective discrimination of Pd0 and Pd2+ in aqueous media (2016) (12)
- Template free facile synthesis of mesoporous mordenite for bulky molecular catalytic reactions (2018) (12)
- Self-assembled thermally highly stable 1-dimensional proton arrays. (2010) (12)
- Coordinate space translation technique for simulation of electronic process in the ion-atom collision. (2011) (12)
- A highly hydrophobic fluorographene-based system as an interlayer for electron transport in organic-inorganic perovskite solar cells (2018) (12)
- Insights into the Nature of SiH4−BH3 Complex: Theoretical Investigation of New Mechanistic Pathways Involving SiH3• and BH4• Radicals (2002) (12)
- Effect of Organic–Cation Exchange Reaction of Perovskites in Water: H-Bond Assisted Self-Assembly, Black Phase Stabilization, and Single-Particle Imaging (2019) (12)
- Solvent rearrangement for an excited electron of the iodide-water pentamer (2004) (12)
- Unfolding the Influence of Metal Doping on Properties of CsPbI 3 Perovskite (2020) (12)
- An efficient Co-ZSM-5 catalyst for the abatement of volatile organics in air: effect of the synthesis protocol (2018) (11)
- Comparison of arsenic acid with phosphoric acid in the interaction with a water molecule and an alkali/alkaline-earth metal cation. (2011) (11)
- Sparse Gaussian process potentials: Application to lithium diffusivity in superionic conducting solid electrolytes (2020) (11)
- Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb). (2022) (11)
- Anomalous behavior of mercury in one dimension: Density-functional calculations (2005) (11)
- Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs. (2016) (11)
- Design of Carbene-Based Organocatalysts for Nitrogen Fixation: Theoretical Study. (2012) (11)
- HF(H2O)n clusters with an excess electron: ab initio study. (2004) (11)
- Bioinformatics Analysis of SARS Proteins and Molecular Dynamics Simulated Structure of an Alpha-helix Motif (2003) (11)
- A "turn-on" fluorescent probe for the detection of permanganate in aqueous media. (2019) (11)
- Ambient-Stable Cubic-Phase Hybrid Perovskite Reaching the Shockley–Queisser Fill Factor Limit via Inorganic Additive-Assisted Process (2018) (11)
- Chemical processing and densification characteristics of lithium aluminosilicate (LAS) gels (1992) (10)
- Formation of a photoactive quasi-2D formamidinium lead iodide perovskite in water (2019) (10)
- New quantum chemical parameter for the substituent effect in benzene based on charge flux (2003) (10)
- Microscopic effect of an applied voltage on the solvated gramicidin a transmembrane channel in the presence of Na+ and K+ cations (1985) (10)
- Linear and nonlinear optical properties of indeno[2,1-b]fluorene and its structural isomers. (2014) (10)
- From Gas Phase Clusters to Nanomaterials: An Overview of Theoretical Insights (2003) (10)
- Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit (2014) (10)
- Plasmon nanofocusing in a dielectric hemisphere covered in tapered metal film. (2012) (10)
- Aromatic pi-pi interaction mediated by a metal atom: structure and ionization of the bis(eta(6)-benzene)chromium-benzene cluster. (2010) (10)
- On the microscopic interaction of para-chlorofluorobenzene with water (2001) (10)
- Vertical growth of multi-walled carbon nanotubes by bias-assisted ICPHFCVD and their field emission properties (2003) (9)
- Large orbital magnetic moment and Coulomb correlation effects in FeBr 2 (2001) (9)
- NH4(+) Resides Inside the Water 20-mer Cage As Opposed to H3O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study. (2011) (9)
- Mechanistic Study on Electrochemical Reduction of Calix[4]quinone in Acetonitrile Containing Water§ (2004) (9)
- Cyanoacetic acid tethered thiophene for well-matched LUMO level in Ru(II)-terpyridine dye sensitized solar cells (2016) (9)
- Theoretical studies on hydroquinone-benzene clusters. (2005) (9)
- Machine Learning of First-Principles Force-Fields for Alkane and Polyene Hydrocarbons. (2021) (9)
- Enhanced photoluminescence quantum yield of MAPbBr3 nanocrystals by passivation using graphene (2020) (9)
- Rotational conformational energetics of stiff aromatic polyimides: Effects of exchange repulsions, dipole-moiety interactions, and π-conjugations (1997) (8)
- Structure and energetics of realistic carbynes: (carbohydroxy)carbyne (HOCOC.tplbond.) (1982) (8)
- Ab initio study of peroxyacetic nitric anhydride and peroxyacetyl radical: Characteristic infrared band of peroxyacetyl radical (2000) (8)
- A universal screening strategy for the accelerated design of superior oxygen evolution/reduction electrocatalysts (2021) (8)
- Machine Learning Assisted High-Throughput Screening of Transition Metal Single Atoms Based Superb Hydrogen Evolution Electrocatalysts (2022) (8)
- Adsorption of Carbon Tetrahalides on Coronene and Graphene (2017) (8)
- Molecular Structure of p-Cyclohexylaniline. Comparison of Results Obtained by X-ray Diffraction with Gas Phase Laser Experiments and ab Initio Calculations (2000) (8)
- Organic cation steered interfacial electron transfer within organic–inorganic perovskite solar cells (2018) (8)
- Two-Dimensional Excitonic Photoluminescence in Graphene on a Cu Surface. (2016) (8)
- Graphene nanonet for biological sensing applications (2013) (7)
- Ferromagnetism in Monatomic Chains: Spin-Dependent Bandwidth Narrowing/Broadening (2017) (7)
- Structure, stability, thermodynamic properties and IR spectra of the protonated water cluster H+(H2O)9 (2009) (7)
- Counterintuitive Coulomb hole around the bond midplane. (2010) (7)
- Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics. (2011) (7)
- Theoretical study of photoinduced electron transfer from tetramethylethylene to tetracyanoethylene (2003) (7)
- Anomalous Ambipolar Transport of Organic Semiconducting Crystals via Control of Molecular Packing Structures. (2017) (7)
- Yield and Characterization of Various Biodiesel from Vegetable Oils and Animal Fats (2012) (7)
- Structure and spectral features of H[sup +](H[sub 2]O)[sub 7]: Eigen versus Zundel forms (2006) (7)
- Band Gap Narrowing of Zinc Orthogermanate by Dimensional and Defect Modification (2019) (6)
- Accurate description of nuclear quantum effects with high-order perturbed path integrals (HOPPI). (2020) (6)
- Relation between primes and nontrivial zeros in the Riemann hypothesis; Legendre polynomials, modified zeta function and Schrödinger equation (2012) (6)
- Design of nano-scale multilayered nitride hard coatings deposited by arc ion plating process: Microstructural and mechanical characterization (2021) (6)
- Electron pair density in the lowest 1Σ(u)(+) and 1Σ(g)(+) states of H2. (2011) (6)
- Effects of an electric field on interaction of aromatic systems (2016) (6)
- Photodissociation of hydrated hydrogen iodide clusters. (2008) (6)
- Vibrational Spectra of Butatriene (C4H4) and Pentatetraene (C5H4): Is Pentatetraene Bent? (1991) (6)
- Highly Stereospecific Epimerization of α-Amino Acids: Conducted Tour Mechanism (2003) (6)
- Hydration structures and energetics of phospholipid (1987) (6)
- Halides with Fifteen Aliphatic C–H···Anion Interaction Sites (2016) (6)
- Water Splitting: One‐Step Synthesis of CoS‐Doped β‐Co(OH)2@Amorphous MoS2+x Hybrid Catalyst Grown on Nickel Foam for High‐Performance Electrochemical Overall Water Splitting (Adv. Funct. Mater. 41/2016) (2016) (6)
- Asymmetry in the voltage shift in Pt/Pb(Zr, Ti)O3/Pt thin-film capacitors (2003) (6)
- Metastable phase of symmetric dimers on Si(001) (2004) (6)
- Controlling metal nanotoppings on the tip of silicide nanostructures (2009) (5)
- Thermally stable intermolecular proton bonds in polyaromatic aldehyde crystals. (2011) (5)
- Computing technologies, theories, and algorithms. The making of 40 years and more of theoretical and computational chemistry (2005) (5)
- A high performance N-doped graphene nanoribbon based spintronic device applicable with a wide range of adatoms (2020) (5)
- Selective separation of Xe/Kr and adsorption of water in a microporous hydrogen-bonded organic framework (2019) (5)
- H2-Binding by Neutral and Multiply Charged Titaniums: Hydrogen Storage Capacity of Titanium Mono- and Dications. (2011) (5)
- A Facile Route for Patterned Growth of Metal-Insulator Carbon Lateral Junction through One-Pot Synthesis. (2015) (5)
- Theoretical studies on the mechanism of acid-promoted hydrolysis of N-formylaziridine in comparison with formamide. (2005) (5)
- Theoretical Study of the Gas Phase Sc + (NO, O2) → ScO + (N, O) Reactions (2002) (5)
- Weak to Strong Hydrogen Bonds (2006) (5)
- Highly Efficient Pure‐Blue Perovskite Light‐Emitting Diode Leveraging CsPbBrxCl3−x/Cs4PbBrxCl6−x Nanocomposite Emissive Layer with Shallow Valence Band (2022) (5)
- Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives (2022) (5)
- Nested Fermi surfaces, optical peaks, and laser-induced structural transition in Al (2004) (5)
- Model calculation of the band energy gap for poly(p-phenylenevinylene) (2001) (5)
- Energetics and Hydration Structures of a Solvated Gramicidin A Transmembrane Channel for K+and Na+Cations. (1986) (5)
- Structures of Tri-, Tetra-, and Hexahydrated Hydride Anion Clusters (2009) (4)
- Author Correction: Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity (2019) (4)
- Ultralow Raman lasing threshold and enhanced gain of whispering gallery modes in silica microspheres (2012) (4)
- Ab initio studies on the correlation of force constant vs bond length in the transition state of methyl-transfer reactions (1990) (4)
- Organic-inorganic hybrid compounds of Li with bisimidazole derivatives: Li ion binding study and topochemical properties. (2006) (4)
- Chapter 5 – Theoretical Approaches to the Design of Functional Nanomaterials (2004) (4)
- INSIGHTS FROM THEORETICAL INVESTIGATIONS OF AQUEOUS CLUSTERS (2002) (4)
- Organic Solar Cells: Evaporation‐Free Nonfullerene Flexible Organic Solar Cell Modules Manufactured by An All‐Solution Process (Adv. Energy Mater. 42/2019) (2019) (4)
- Ab Initio Conformational Study of 1,2:4,5-Di-O-isopropylidene-myo-inositol (1996) (4)
- Theoretical Study of the Nonlinear Optical Properties of Nonsubstituted-, Methyl-fluoro-, and Amino-nitro-Polyenes (1993) (4)
- Ratcheting Behavior of Inconel 718 at 649°C under Multiaxial Loading (2010) (4)
- Spectromicroscopic observation of a live single cell in a biocompatible liquid-enclosing graphene system. (2017) (4)
- Sulfur-vacancy-dependent geometric and electronic structure of bismuth adsorbed on Mo S 2 (2018) (3)
- Fuel Cells: Highly Efficient Oxygen Reduction Reaction Activity of Graphitic Tube Encapsulating Nitrided Co x Fe y Alloy (Adv. Energy Mater. 25/2018) (2018) (3)
- Geometric isomerism in triplet carbenes: carbohydroxycarbene (1980) (3)
- Ir and NHC Dual Chiral Synergetic Catalysis: Mechanism and Stereoselectivity in γ-Butyrolactone Formation. (2022) (3)
- An effective approach to realize graphene based p-n junctions via adsorption of donor and acceptor molecules (2019) (3)
- Coarse and fine-tuning of lasing transverse electromagnetic modes in coupled all-inorganic perovskite quantum dots (2020) (3)
- Temperature effect on ZnO/Si thin film grown using metal organic chemical vapor deposition (2002) (3)
- Supra‐Binary Polarization in a Ferroelectric Nanowire (2021) (3)
- Creep Crack Growth in X20CrMoV 12 1 Steel and Its Weld Joint (2001) (3)
- Trifluoroethanol increases the stability of Delta(5)-3-ketosteroid isomerase. 15N NMR relaxation studies. (2002) (3)
- CO capture and conversion to HOCO radical by ionized water clusters. (2014) (3)
- Electronic Supplementary Information Single Crystal Structure of Copper Hexadecafluorophthalocyanine ( F 16 CuPc ) Ribbon (2009) (3)
- Tuning molecular self-assembly toward intriguing nanomaterial architectures. (2013) (3)
- Antiferromagnetic spin ordering in the dissociative adsorption of H2 on Si(001): density-functional calculations. (2009) (3)
- Interaction of phospholipids (Lysophosphatidylethanolamines) with water and sodium cation (1986) (3)
- Thermal and Electrical Properties of TaN Electrode on HfO2 Gate Dielectric (2004) (3)
- Two Liquid-Liquid Phase Transitions in Confined Water Nanofilms. (2021) (3)
- Six-Membered N-Heterocyclic Ring Formation via Photocyclization: Photocyclization of 2-Haloarenes. (1993) (3)
- Sparse Gaussian Process Regression-Based Machine Learned First-Principles Force-Fields for Saturated, Olefinic, and Aromatic Hydrocarbons (2022) (3)
- Orbital Selective Fermi Surface Shifts in Correlated AFeAs (A = Li, Na) (2015) (2)
- Suppressed β-Hydride Elimination in Palladium-Catalyzed Cascade Cyclization—Coupling Reactions: An Efficient Synthesis of 3-Arylmethylpyrrolidines. (2010) (2)
- Erratum: First-principles study of the adsorption of C2H2 and C2H4 on Si(001) [Phys. Rev. B 63, 073306 (2001)] (2001) (2)
- Disulfuric acid dissociated by two water molecules: ab initio and density functional theory calculations. (2015) (2)
- A color version of the Hinsberg test: 1 degrees -3 degrees amine indicator. (2007) (2)
- Crystalline-amorphous interface of mesoporous Ni 2 P @ FePO x H y for oxygen evolution at high current density in alkaline-anion-exchange-membrane water-electrolyzer Applied Catalysis B: Environmental (2022) (2)
- Surface Properties of CVD-Grown Graphene Transferred by Wet and Dry Transfer Processes (2022) (2)
- Hydrogen detachment of the hexahydrated hydroiodic acid upon attaching an excess electron (2007) (2)
- Numerical Simulation on the Electronic Properties in Multilayer Organic Light Emitting Diodes (2012) (2)
- Mn-CUK-1: A Flexible MOF for SO2, H2O, and H2S Capture. (2022) (2)
- Time dependence of the position momentum and position velocity uncertainties in gapped graphene (2012) (2)
- Pseudorotation-driven dynamical structure of the tropyl radical. (2006) (2)
- A Theoretical Study of a Z-DNA Crystal: Structure of Counterions, Water and DNA Molecules (1991) (2)
- Signature of multilayer growth of 2D layered Bi2Se3 through heteroatom-assisted step-edge barrier reduction (2019) (1)
- An electrochemically controllable nanomechanical molecular system utilizing edge-to-face and face-to-face aromatic interactions. (2002) (1)
- Clusters to functional molecules, nanomaterials, and molecular devices (2005) (1)
- Theoretical Studies of Regioselectivity of myo-Inositol Derivatives: Importance of Solvent Dielectric Constants (1997) (1)
- Anisotropic and amphoteric characteristics of diverse carbenes. (2018) (1)
- La-Doped BaSnO$_3$ Electron Transport Layer for Perovskite Solar Cells. (2018) (1)
- Two-Dimensional Icy Water Clusters between a Pair of Graphene-Like Molecules or Graphene Sheets (2016) (1)
- Band and bonding characteristics of N2+ ion-doped graphene (2016) (1)
- Proximity Effect Induced Electronic Properties of Epitaxial Graphene on Bi2Te2Se (2015) (1)
- Observation of Mg-induced structural and electronic properties of graphene (2016) (1)
- Transition metal single atom embedded GaN monolayer surface for efficient and selective CO2 electroreduction (2022) (1)
- Perovskite Solar Cells: A New Perspective on the Role of A‐Site Cations in Perovskite Solar Cells (Adv. Energy Mater. 14/2018) (2018) (1)
- Graphene: Van der Waals Epitaxial Double Heterostructure: InAs/Single‐Layer Graphene/InAs (Adv. Mater. 47/2013) (2013) (1)
- Anharmonicity‐Driven Rashba Cohelical Excitons Break Quantum Efficiency Limitation (2020) (1)
- Quantum Monte Carlo Study of Water Dimer Binding Energy and Halogen-π Interactions. (2019) (1)
- Macromolecular Modeling and NMR Distance Geometry Refinement: Conotoxin G1 in Solvent (1993) (1)
- Label‐Free Polypeptide‐Based Enzyme Detection Using a Graphene‐Nanoparticle Hybrid Sensor (Adv. Mater. 45/2012) (2012) (1)
- Electronic structures of diboride compounds : AgB2 and AuB2 (2005) (1)
- Signature of a quantum dimensional transition in the spin- 12 antiferromagnetic Heisenberg model on a square lattice and space reduction in the matrix product state (2018) (1)
- Discrete velocity random motion in an external field (2000) (1)
- Phaes Formation and Rheological Characteristics of LAS Derived from the Monophasic Sol-Gel Route (1991) (1)
- Application of Quantum Chemistry to Nanotechnology: Electron and Spin Transport in Molecular Devices (2009) (1)
- Perovskites: Interface Engineering Driven Stabilization of Halide Perovskites against Moisture, Heat, and Light for Optoelectronic Applications (Adv. Energy Mater. 30/2020) (2020) (1)
- Chiral transformation in protonated and deprotonated adipic acids through multistep internal proton transfer. (2010) (1)
- STRUCTURE AND ENERGETICS OF REALISTIC CARBYNES: (CARBOHYDROXY)CARBYNE (HOCOC) (1982) (0)
- Structure, Spectra, and Thermodynamic Energies of the Water Dimer and Hexamer (2000) (0)
- Scanning Kelvin Probe Study of Electric Field Effect Tuning of Graphene Work function (2009) (0)
- Room temperature self-assembly of cation-free guanine quartet network nucleated from Mo-induced defect on decorated Au(111) with graphene nanoribbons (2021) (0)
- Quantum Dimension Transition of Spin 1/2 Antiferromagnetic Heisenberg Model (2018) (0)
- Charge Transfer Based Colorimetric Detection of Silver Ion (2014) (0)
- Doped MXene Combinations as Highly Efficient Bifunctional and Multifunctional Catalysts for Water Splitting and Metal-Air Batteries (2022) (0)
- First-principles study on structural, electronic, magnetic and thermodynamic properties of lithium ferrite LiFe5O8 (2022) (0)
- Monte Carlo estimates of thermal averages and analytic continuation (2012) (0)
- Dynamic Characteristics of Train Wheel under In-Plane Compressive Stress (1987) (0)
- PROBING THE HYDRATION OF GAS-PHASE ALKALI METAL ION - CROWN ETHER COMPLEXES USING INFRARED SPECTROSCOPY (2003) (0)
- Numerical Study on Recombination Efficiency at 4,4'-Bis(2,2'-diphenylvinyl)-1,1'-spirobiphenyl/Tris(8-quinolinolato)aluminium Interface in Organic Light Emitting Diodes (2013) (0)
- Cumulant expansion and analytic continuation in Monte Carlo simulation of classical Lennard-Jones clusters. (2012) (0)
- Quantum Dimensional Transition in Spin-1 2 Antiferromagnetic Heisenberg Model on A Square Lattice and Space Reduction in Matrix Product State (2018) (0)
- Novel One-Pot Route for Growth of Graphene/Amorphous Carbon Heterostructure via Chemical Structure Control (2016) (0)
- Super-Magnetoresistance in Graphene Nanoribbon Spin Valve Devices (2008) (0)
- Angle-resolved Photoemission Study of Epitaxial Graphene on Cu(111) (2012) (0)
- Theoretical Study on Recombination Efficiency at S-DPVBi/Alq3 Interface in OLED (2012) (0)
- Very low temperature growth of C-axis oriented ZNO thin film on SI substrates (2003) (0)
- CCDC 214945: Experimental Crystal Structure Determination (2003) (0)
- Computer Aided Nanomaterials Design – Self-assembly, Nanooptics, Molecular Electronics/Spintronics, and Fast DNA Sequencing (2011) (0)
- Liquid-liquid-like phase transitions between high, mid, and low density phases in confined water (2020) (0)
- Publisher's Note: “Relation between primes and nontrivial zeros in the Riemann hypothesis; Legendre polynomials, modified zeta function and Schrödinger equation” [J. Math. Phys. 53, 122108 (2012)] (2013) (0)
- Graphene Nanonet for Biological Sensor (2015) (0)
- Space Reduction in Matrix Product State (2018) (0)
- Nonstationary theory of magnetic field induced current for molecular spin nanojunction (2009) (0)
- Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity (2018) (0)
- Selective self-assembly and characterization of GaN nanopyramids on m-plane InGaN/GaN quantum disks (2012) (0)
- Uncertainties in Gapped Graphene (2011) (0)
- Supra-Binary Ferroelectricity in a Nanowire (2019) (0)
- Size analysis of airborne particles by Dust monitor and Sedimentation field-flow fractionation (SdFFF) (2009) (0)
- Gapless and Massive 1D Singlet Dispersion Channel in Infinite Spin-1/2 Ladders ---Infinite Quasi-1D Entanglement Perturbation Theory for Excitation (2020) (0)
- Extremely stable graphene electrodes doped with macromolecular acid (2018) (0)
- Author Correction: Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity (2019) (0)
- Supporting Information Organic Cation Steered Interfacial Electron Transfer within Organic-Inorganic Perovskite Solar Cell (2017) (0)
- Phenol vs water molecule interacting with various molecules: Sigma-type, pi-type, and chi-type hydrogen bonds, interaction energies, and their energy components. (2005) (0)
- CCDC 214946: Experimental Crystal Structure Determination (2003) (0)
- De Novo Design Theory: Nanomaterials and Molecular Devices (2014) (0)
- Dual Interface Passivation in Mixed-Halide Perovskite Solar Cells by Bilateral Amine (2023) (0)
- Halides with Fifteen Aliphatic C-H center dot center dot center dot Anion Interaction Sites (2016) (0)
- High-Performing Atomic Electrocatalyst for Chlorine Evolution Reaction. (2023) (0)
- Highly Efficient Pure‐Blue Perovskite Light‐Emitting Diode Leveraging CsPbBr x Cl 3− x /Cs 4 PbBr x Cl 6− x Nanocomposite Emissive Layer with Shallow Valence Band (Advanced Optical Materials 6/2022) (2022) (0)
- Rational design of metal–ligands for the conversion of CH4 and CO2 to acetates: role of acids and Lewis acids (2020) (0)
- Corrigendum: Selective self-assembly and characterization of GaN nanopyramids on m-plane InGaN/GaN quantum disks (2012) (0)
- Highly stereospecific epimerization of alpha-amino acids: conducted tour mechanism. (2003) (0)
- Hydrogen detachment of the hydrated hydrohalogen acids upon attaching an excess electron. (2008) (0)
- High-performance Photoconductive devices based on Graphene-Nanowire Hybrid Structures (2013) (0)
- Magic structures and quantum conductance of silver nanowires. (2006) (0)
- Induction-Driven Stabilization of the Anion–p Interaction in Electron-Rich Aromatics as the Key to Fluoride Inclusion in Imidazolium-Cage ACHTUNGTRENNUNG eceptors (2011) (0)
- Charge Transfer in Excited States: ab initio Molecular Dynamics Simulations (2010) (0)
- Molecular clusters to nanomaterials (2007) (0)
- Novel Ionophores with 2n-Crown-n Topology: Anion Sensing via Pure Aliphatic C-H center dot center dot center dot Anion Hydrogen Bonding (2014) (0)
- Spatially Resolved Electric and Thermal Properties Study of Graphene Field Effect Devices (2011) (0)
- Field emission properties of double-walled carbon nanotubes coated with Ru metal nanoparticles (2009) (0)
- Corrigendum to “Delivery of IL-12p40 ameliorates DSS-induced colitis by suppressing IL-17A expression and inflammation in the intestinal mucosa” [Clin. Immunol. 144 (2012)190–199] (2012) (0)
- Upconversion and multiexciton generation in organic Mn(II) complex boost quantum yield > 100% (2022) (0)
- High resolution temperature distribution measurement of Joule self-heated graphene nanoribbon (2011) (0)
- Ab Initio Study of a Partially Hydrated Electron (2000) (0)
- 18. Molecular Spintronics (2011) (0)
- Facile room-temperature self-assembly of extended cation-free guanine-quartet network on Mo-doped Au(111) surface (2021) (0)
- Trifluoroethanol Increases the Stability of Δ5-3-Ketosteroid Isomerase (2002) (0)
- High resolution thermal properties study of Joule self-heated graphene nanoribbon (2011) (0)
- Water-soluble metal working fluid based on a distillation residue of biodiesel production (2007) (0)
- Fast atomic structure optimization with on-the-fly sparse Gaussian process potentials (2022) (0)
- Hydrogen Bonding — New Insights (2006) (0)
- VIBRATIONAL FREQUENCIES OF THE CYANOCARBENE (HCCN) MOLECULE. A NEAR DEGENERACY BETWEEN BENT CYANOCARBENE AND LINEAR ALLENE-RELATED GEOMETRIES (1983) (0)
- Utilization of 1-Methanesulfonyloxy-6-trifluoromethylbenzotriazole (FMS) as a Coupling Agent for the Esterification of Dihydropyridine-3-carboxylic Acid. (1989) (0)
- Fluid composition for processing water soluble metal base and a distillation residue generated in production of biodiesel. (2007) (0)
- Imidazolium Receptors for the Recognition of Anions (2006) (0)
- ELECTRONIC SYMMETRY BREAKING IN POLYATOMIC MOLECULES. MULTICONFIGURATION SELF-CONSISTENT FIELD STUDY OF THE CYCLOPROPENYL RADICAL C3H3 (1984) (0)
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