Citation Impact
Citing Papers
Ab Initio Molecular Dynamics Simulations
1996
The complexes of halothane with benzene: the temperature dependent direction of the complexation shift of the aliphatic C–H stretching
2010
Intermolecular Interactions between Halothane and Dimethyl Ether: A Cryosolution Infrared and Ab Initio Study
2007
Structural motifs and reactivity of small molecules containing subvalent Group 13 elements: matrix isolation and quantum chemical studies
2003
Laboratory observation of hot bands of H+3
1990 StandoutNobel
Direct picosecond time resolution of unimolecular reactions initiated by local mode excitation
1986 StandoutNobel
Strength of the Pnicogen Bond in Complexes Involving Group Va Elements N, P, and As
2014
Fluorine-19 Nuclear Magnetic Shielding in Some Monofluorinated Compounds
1960
Stretching Vibrations in Condensed Systems : Especially Bonds Containing Hydrogen
1957
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
A photoionization study of the vinyl radical
1988
Spectrum of phosphine at 4 to 5 μm: Analysis of ν1 and ν3 bands
1980
Detection of carbonyl fluoride in the stratosphere
1986
Isotopen-verschiebungen in den infrarotspektren von matrixisoliertem phosgen und ihre auswertung zur kraftkonstantenberechnung
1975
Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology
2005 Standout
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
1998 StandoutNobel
Gaussian-2 theory for molecular energies of first- and second-row compounds
1991 StandoutNobel
Signaling Recognition Events with Fluorescent Sensors and Switches
1997 Standout
Infrared and Raman analyses of the halogen-bonded non-covalent adducts formed by α,ω-diiodoperfluoroalkanes with DABCO and other electron donors
2000
Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations
1979
Picosecond photofragment spectroscopy. II. The overtone initiated unimolecular reaction H2O2(vOH=5)→2OH
1987 StandoutNobel
Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture)
1993 Nobel
Calculation of the frequencies and intensities in the infrared spectrum of the ethyl radical
1983
Torsional potential and intramolecular dynamics in the C2H+4 photoelectron spectra
1984 StandoutNobel
Infrared Intensities and Bond Moments in Formaldehyde
1955
Powering the planet: Chemical challenges in solar energy utilization
2006 Standout
Electric Dipole Moment of Trisilylamine
1963 StandoutNobel
Intensity of the Symmetry-Forbidden Electronic Absorption Band of Formaldehyde
1957 StandoutNobel
Hydrides of the Main-Group Metals: New Variations on an Old Theme
2001
Relativistic and non-relativistic Hartree-Fock one-centre expansion calculations for the series CH4 to PbH4 within the spherical approximation
1974
Vibrational frequency shifts induced by molecular compression of pyridine in solution
1986 StandoutNobel
Vibration—Rotation Spectra of CH4 and CD4 Impurities in Xenon, Krypton, and Argon Crystals
1963
The VA and VCD spectra of various isotopomers of l-alanine in aqueous solution
2002
The 1985 chlorine and fluorine inventories in the stratosphere based on ATMOS observations at 30� north latitude
1992
Determination of the rα structure of thiophene by combined analysis of electron diffraction, liquid crystal NMR and rotational data
1988
High-energy overtone spectroscopy of some deuterated methanes
1985 StandoutNobel
Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of NCNO into NC and NO
1988 StandoutNobel
The C–Cl⋯N halogen bond, the weaker relative of the C–I and C–Br⋯N halogen bonds, finally characterized in solution
2010
The ethyl radical: Photoionization and theoretical studies
1989 StandoutNobel
Infrared Matrix-Isolation Studies of Nuclear-Spin-Species Conversion
1968 StandoutNobel
Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+
1982
Femtosecond Activation of Reactions and the Concept of Nonergodic Molecules
1998 StandoutScienceNobel
SCF Wavefunctions for the NH3 Molecule. Potential-Energy Surface and Vibrational Force Constants
1968
Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO
1989 StandoutNobel
Theoretical study of structures and energies of acetylene, ethylene, and vinyl radical and cation
1988 StandoutNobel
Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
2012 StandoutScience
Crystal engineering of brominated tectons: N-methyl-3,5-dibromo-pyridinium iodide gives particularly short C–Br⋯I halogen bonding
2004
Artificial Molecular Machines
2000 StandoutNobel
Infrared Spectra of Ammonia Suspended in Solid Nitrogen
1962
Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. III C–H and C–C Bonds
1970 StandoutNobel
Theoretical study of the C–H bond dissociation energy of acetylene
1989 StandoutNobel
Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three-Membered Rings
1969
Femtosecond Surface Vibrational Spectroscopy of CO Adsorbed on Ru(001) during Desorption
2000 StandoutNobel
Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants
1970 StandoutNobel
UV photostimulated desorption of ammonia from Cu(111)
1995 StandoutNobel
Polarized photoluminescence of oligothiophenes in nematic liquid crystalline matrices
1996 StandoutNobel
Phosgene measurements in the upper troposphere and lower stratosphere
1988 StandoutNatureNobel
On the heat of formation of carbonyl fluoride, CF2O
1996
High energy CH-overtone spectra of benzene at 1.8 K
1984 StandoutNobel
C–H⋯X (X=S, P) hydrogen bonding: The complexes of halothane with dimethyl sulfide and trimethylphosphine
2012
Desorption of CO from Ru(001) induced by near-infrared femtosecond laser pulses
2000 StandoutNobel
Unimolecular reaction rate theory for transition states of partial looseness. II. Implementation and analysis with applications to NO2 and C2H6 dissociations
1985 StandoutNobel
Theoretical study of intramolecular vibrational relaxation of acetylenic CH vibration for v=1 and 2 in large polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si
1993 Nobel
A b i n i t i o studies of the low-lying electronic states of ketene
1986
Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods
1974 StandoutNobel
Characterisation of a pre-reactive intermediate in gas-phase mixtures of fluorine and ammonia: the rotational spectrum of the H3N…F2 complex
1995
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
Isomerization and Hydrogenation ofcis-2-Butene on Pd Model Catalyst
2008
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
1985 Standout
Theoretical calculation of the vibrational spectra of some XHn type molecules
1966
The Halogen Bond
2016 Standout
Theoretical Bond Energies: A Critical Evaluation
2001
Force constants and equilibrium geometries in H2O2 and other small molecules containing an OH group
1976
Concerning zero-point vibrational energy corrections to electronic energies
1991
The force field and r structure of Ketene
1976
Coupled electron pair calculations for R-C E molecules (E = N, P, As or Sb)
1992
Femtosecond dynamics of dative bonding: Concepts of reversible and dissociative electron transfer reactions
1999 StandoutNobel
Solvation of Oligo(ethylene glycol)-Terminated Self-Assembled Monolayers Studied by Vibrational Sum Frequency Spectroscopy
2000
Gaussian-2 theory: Use of higher level correlation methods, quadratic configuration interaction geometries, and second-order Mo/ller–Plesset zero-point energies
1995 StandoutNobel
Photodetachment studies of metal clusters: Electron affinity measurements for Cux
1986 StandoutNobel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
FTIR Investigation of the Formation of Neutral and Ionic Hydrogen-Bonded Complexes by Interaction of H-ZSM-5 and H-Mordenite with CH3CN and H2O: Comparison with the H-NAFION Superacidic System
1996
Mechanically induced intramolecular electron transfer in a mixed-valence molecular shuttle
2012 StandoutNobel
State of Understanding of Nafion
2004 Standout
Fermi resonance distortion of the Ru–CO stretching mode of CO adsorbed on Ru(001)
1998
Force Constants of Molybdenum− and Tungsten−Pnictogen Triple Bonds
1996 StandoutNobel
Vibronic coupling effects in the photoelectron spectrum of ethylene
1978
Infrared-laser-induced photodesorption ofNH 3 ND 3
1985
C13 Nuclear Magnetic Resonance Spectroscopy. IV. Aniline, N,N-Dimethylaniline, and Their Methyl Derivatives: Steric Inhibition of Conjugation
1963 StandoutNobel
Highly vibrationally excited benzene: Overtone spectroscopy and intramolecular dynamics of C6H6, C6D6, and partially deuterated or substituted benzenes
1982
Analysis of vibrational structure and Jahn-Teller effects in the electron spectrum of ammonia
1973 StandoutNobel
Elektronentransferreaktionen in der Chemie ‐ Theorie und Experiment (Nobel‐Vortrag)
1993 Nobel
Picosecond photofragment spectroscopy. I. Microcanonical state-to-state rates of the reaction NCNO→CN+NO
1987 StandoutNobel
Threshold resonances in the electron photodetachment spectrum of acetaldehyde enolate anion. Evidence for a low-lying, dipole-supported state
1981
Molecular Momentum Distributions and Compton Profiles. I. General Theory and Boron Hydrides
1970 StandoutNobel
Reversible, Metal-Free Hydrogen Activation
2006 StandoutScience
President's Lecture: The Need for Scientific Communication with the Public
1993 StandoutScienceNobel
Works of D.C. McKean being referenced
The intensities of absorption bands in the methyl halides
1952
Isolated MH stretching frequencies, anharmonicities, and dissociation energies in silanes, germanes, phosphines, and arsines
1982
Infra-red spectra of crystal—III. SiH4, GeH4, GeD4 and SnH4, pure and in matrices
1967
Analysis of the ν2 :ν3 + ν4 Fermi resonance in CH3CN isotopic species in solution
1988
Vibrational spectrum and harmonic force field of trimethylamine
1993
Bond Moments and Molecular Structure:
1955
Vibrational spectra of crystalline dimethyl ethers
1971
Infrared spectra of dueterated methyl germanes and the geometries of some GeH compounds
1984
Infrared spectra of deuterated methanols and force field
1974
The infrared spectrum of 15NF3 and force field
1969
Vibrational spectrum and harmonic force field of trimethylphosphine
1990
On isotopic substitution and the choice between alternative sets of force constants; with special reference to the cases of ethylene, ketene, diazomethane and formaldehyde
1971
Vibrational spectra and structure of trisilylamine and trisilylamine—d9
1958
CH stretching frequencies, bond lengths and strengths in halogenated ethylenes
1975
Vibrational anharmonicity and Fermi resonances in CHF2Cl
1988
Isolated SnH stretching frequencies and conformer abundances in stannane and methyl and ethyl stannanes
1985
The ground state structures of disilane, methyl silane and the silyl halides, and an SiH bond length correlation with stretching frequency
1986
Infrared crystal spectra of C2H4, C2D4, and as-C2H2D2 and the general harmonic force field of ethylene
1973
CHD2 spectra and Fermi resonance effects in the CH3 and CD3 stretching regions. Symmetrical CH3 groups
1973
Infrared and ab initio studies of molecules containing SiH bonds
1992
Individual CH bond strengths in simple organic compounds: effects of conformation and substitution
1978
The infrared spectrum of cyclopropane
1968
Vibrational spectra of nitromethanes and the effects of internal rotation
1976
The harmonic force field of methyl acetylene
1976
Spectra and Structure of Crystalline Cyclopropane and Cyclopropane-D6
1970
Methyl cianide
1978
Absolute Infrared Intensities of Vibration Bands in Ammonia and Phosphine
1956
CH stretching frequencies, bond lengths and dissociation energies
1973
Frequency shifts from gas to crystal—I
1962
SiH and GeH stretching frequency variations in rotational conformers of MHCH2X compounds
1982
The harmonic force field and ground-state average structure of allene
1977
Vibrational spectra of cis and trans but-2-enes: assignments, isolated CH stretching frequencies and CH bond lengths
1985
Infrared spectra of carbonyl fluorides and general harmonic force field
1975
Non-equivalent CH bonds in CH3 compounds, from CD2H infrared studies
1971
CH bond dissociation energies, isolated stretching frequencies, and radical stabilization energy
1989