Citation Impact
Citing Papers
Theoretical Chemistry of Gold
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Selection of boron reagents for Suzuki–Miyaura coupling
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2020
Calorimetric heats for CO and oxygen adsorption and for the catalytic CO oxidation reaction on Pt{111}
1997
Transition metal catalysed diboration
1998
Infrared Spectroscopic Observation of Intermediate Species on Ni and Fe Electrodes in the Electrochemical Reduction of CO2 and CO to Hydrocarbons
1998
Coadsorption phases ofC O
2005 StandoutNobel
Rydberg and multiple-electron excitations in x-ray photoabsorption spectra ofN 2
1989 StandoutNobel
Identification of the "Active Sites" of a Surface-Catalyzed Reaction
1996 StandoutScienceNobel
The dynamics of CO oxidation on Pt deduced from translational, rotational and vibrational excitation in product CO2
1986 StandoutNobel
Alkali-metal-affected adsorption of molecules on metal surfaces
1988
Steric effects in 3‐substituted polythiophenes: comparing band gap, nonlinear optical susceptibility and conductivity of poly(3‐cyclohexylthiophene) and poly(3‐hexylthiophene)
1992
Gaussian-2 theory for molecular energies of first- and second-row compounds
1991 StandoutNobel
A theoretical study of the energies of BHn compounds
1988 StandoutNobel
Modeling the potential of a charge distribution
1992 StandoutNobel
Anisotropic atomic motions in structural analysis by low energy electron diffraction
1993 StandoutNobel
Theoretical study of B2H+4 and B2H4
1989 StandoutNobel
Gaussian-1 theory of molecular energies for second-row compounds
1990 StandoutNobel
The Electro-Oxidation of CO at the Ru(0001) Single-Crystal Electrode Surface
2000 StandoutNobel
CO adsorption and oxidation on Pt and PtRu alloys: dependence on substrate composition
1994
Graphenes as Potential Material for Electronics
2007 Standout
Synthetic Principles for Bandgap Control in Linear π-Conjugated Systems
1997 Standout
1985 StandoutNobel
Challenges for Density Functional Theory
2011 Standout
Adsorbate-induced electronic modification of alkali-metal overlayers
1994 StandoutNobel
Ammonia dimer: A surprising structure
1985
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Electronegativity based on the simple bond charge model
1977
Conceptual Density Functional Theory
2003 Standout
Fluorescence Lifetime Measurements and Biological Imaging
2010 Standout
Theoretical study of the ionization of B2H5
1989 StandoutNobel
Electrophilicity Index
2006 Standout
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Density functional theory in surface chemistry and catalysis
2011 Standout
Direct vibrational spectroscopic observations of mixed long range and short range adsorbate interactions: The K+CO interaction on Ni(111)
1986
The short range of the electronic promoter effect of potassium
1985
On the electronic structure of the coadsorbate system CO + O (2×1)/Pd(111): A precursor for CO2 formation
1988
The ethyl radical: Photoionization and theoretical studies
1989 StandoutNobel
Scanning-tunneling-microscopy observation of K-induced reconstructions on Au(110)
1995 StandoutNobel
Photoionization studies of (BH3)n (n=1,2)
1988
Interactions of CO + K on Ru(001): Structure and bonding
1985
Vibrational Stark effect of adsorbates at electrochemical interfaces
1996
LCAO-type calculations of the effect of K and Cl atoms on the dissociation of CO at the Ni(111) surface
1983
Stereoselective Cyclopropanation Reactions
2003 Standout
Potassium promoted C–O bond weakening on Ru(001). I. Through-metal interaction at low potassium precoverage
1985
Low energy adsorbate vibrational modes observed with inelastic helium atom scattering: CO on Pt(111)
1986
High-pressure catalytic reactions over single-crystal metal surfaces
1991
Enhanced reactivity of adsorbed oxygen on Pd(111) induced by compression of the oxygen layer
2005 StandoutNobel
Conceptual and Computational DFT in the Study of Aromaticity
2001
Further theoretical studies on B2H4 and B2H+4
1989 StandoutNobel
Microcalorimetric Heats of Adsorption for CO, NO, and Oxygen on Pt{110}
1996
Dynamics of Electron-Induced Manipulation of Individual CO Molecules on Cu(111)
1998 StandoutNobel
Total-energy calculations forN 2
1985
Measurement of the intermolecular vibration–rotation tunneling spectrum of the ammonia dimer by tunable far infrared laser spectroscopy
1991
Theoretical study of the C–H bond dissociation energy of acetylene
1989 StandoutNobel
STM and chemistry: a qualitative molecular orbital understanding of the image of CO on a Pt surface
1996
The properties of K and coadsorbed CO + K on Ru(001)
1985
Structural analyses of Cs+CO coadsorbed on Ru(0001)
1995 StandoutNobel
On the observed high conductivity of poly(perinaphthalene) chains
1989
Anisotropic thermal displacements of adsorbed atoms and molecules on surfaces studied by low-energy electron diffraction
1995 StandoutNobel
Infrared photodissociation spectra of isomeric SiOH+–Ar (n=1–10) complexes
1998
First Principles Analysis of the Electrocatalytic Oxidation of Methanol and Carbon Monoxide
2007
Theoretical studies of stereoselective hydroborations
1984
Energetics of Cation Radical Formation at the Proximal Active Site Tryptophan of Cytochrome c Peroxidase and Ascorbate Peroxidase
1998 StandoutNobel
Theoretical study of B2H+5, B2H+6, and B2H6
1988 StandoutNobel
Theroretical study of B2H+3, B2H+2, and B2H+
1989 StandoutNobel
Subsurface Oxygen in the CO Oxidation Reaction on Pt(110): Experiments and Modeling of Pattern Formation
1998 StandoutNobel
Oscillatory instabilities during formic acid oxidation on Pt(100), Pt(110) and Pt(111) under potentiostatic control. II. Model calculations
1997 StandoutNobel
1984 StandoutNobel
The electrooxidation of CO: a test reaction in electrocatalysis
1990
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Intersystem Crossing Mediated by Photoinduced Intramolecular Charge Transfer: Julolidine−Anthracene Molecules with Perpendicular π Systems
2008
Structure Determination of an Alkali Metal–CO Coadsorption Phase: Ni(111)-K/
1995 StandoutNobel
Surface reaction between coadsorbed K and CO on Cu{110}
1985
The approximation of electron densities
1986
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
1997 StandoutNobel
Cyanide adsorbed on coinage metal electrodes: A relativistic density functional investigation
1998
Aryl−Aryl Bond Formation One Century after the Discovery of the Ullmann Reaction
2002 Standout
Proton-Coupled Electron Transfer
2012 Standout
Aspects of density functional theory
1994
Works of N. K. Ray being referenced
Potential‐Derived point‐charge model study of electrostatic interaction energies in some hydrogen‐bonded systems
1985
Isomerization of SiOH+, HSiOH and H2SiO: a density functional study
1996
Diamagnetic shieldings of atoms in molecules and their relation to electronegativity
1980
Theoretical study of reaction paths. Diboration of ethylene
1982
Activation hardness and cycloadditions of even linear polyenes
1994
Molecular orbital study of CO chemisorption on a Pt(111) surface in the presence of potassium
1983
A b i n i t i o study of the electronic structure and conduction properties of mislinked heterocyclic polymers
1988
Floating spherical gaussian orbital calculation of electric field gradients near the deuteron in CH3D, H2CCHD, HCCD
1970
Molecular orbital study of co chemisorption and oxidation on a Pt(111) surface
1982
The floating spherical gaussian orbital model and shape of B2H5 ion
1977
Variations in carbon-oxygen and platinum-carbon frequencies for carbon monoxide on a platinum electrode
1982
Structures and reactions of hydronium, water, and hydroxyl on an iron electrode. Potential dependence
1982
MNDO study of reaction paths: Diboration of acetylene
1982
Reaction mechanism of hydroboration. Ab initio MO study on the C2H4 + BH3 reaction
1980
Simple bond-charge model for bending force constants of linear symmetric triatomic molecules
1973