Citation Impact
Citing Papers
Time-Resolved Electron Diffraction from Selectively Aligned Molecules
2009 StandoutNobel
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Variable dimensionality in atoms and its effect on the ground state of the helium isoelectronic sequence
1975
Microwave Spectrum, Structure, and Dipole Moment of Propane
1960
Intermolecular Potentials for N2 Molecules and the Lattice Vibrations of Solid α-N2
1970 StandoutNobel
Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater-Type Basis
1970 StandoutNobel
Efficient and accurate expansion methods for molecules in local density models
1982
Calculation of the Barrier to Internal Rotation in Ethane
1963 StandoutNobel
Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane Molecules
1968 StandoutNobel
On the Equilibrium C–H Distance in Methane
1960
Two sources of the decrease of aromaticity: Bond length alternation and bond elongation. Part I. An analysis based on benzene ring deformations
1999
Computer Simulation of Liquids
2017 Standout
Interdimensional degeneracies, near degeneracies, and their applications
1986 StandoutNobel
Observation of structure in transition state spectra of the bimolecular reactions K+XNa→KX+Na (X=Br,Cl)
1991 StandoutNobel
Photoexcitation of reaction complexes in the reaction K+NaCl→KCl+Na
1986 StandoutNobel
Unperturbed Mean-Square End-to-End Distance of Polyethylene
1961
Density functional theory and molecular bonding. I. First-row diatomic molecules
1977
On the Stability of Half-Filled Shells
1996
Calculation of the Anharmonicity in the Vibrational Frequencies of Alkane Molecules by the CFF Functions
1971 StandoutNobel
Global and Local Aromaticity of Linear and Angular Polyacenes
2000
Dimensional interpolation for two-electron atoms
1986 StandoutNobel
Singlet−Triplet Gaps and Spin Potentials
1998
Nonbonded Potential Parameters Derived from Crystalline Hydrocarbons
1967
Hylleraas–Pekeris treatment of D-dimensional two-electron atoms
1986 StandoutNobel
Elastic Electron Scattering Amplitudes for Neutral Atoms Calculated Using the Partial Wave Method at 10, 40, 70, and 100 kV for Z = 1 to Z = 54
1967
Differential Cross Sections for the Electron-Impact Excitation of Vibrational Levels in Molecules
1969
Observation and analysis of the ν3 band of NH+3
1989 StandoutNobel
Conceptual Density Functional Theory
2003 Standout
Molecular Beam Kinetics: Reactions of H and D Atoms with Diatomic Alkali Molecules
1971 StandoutNobel
Photoexcitation spectra of transition region species in reactions of potassium with sodium halides
1992 StandoutNobel
HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: XIV. ROTATIONAL SPECTRA OF C2H6, C2D6, C2H3D3 AND STRUCTURE OF THE ETHANE MOLECULE
1962
The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene
1997
Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
1976 StandoutNobel
Analytical Expressions for Potentials of Neutral Thomas—Fermi—Dirac Atoms and for the Corresponding Atomic Scattering Factors for X Rays and Electrons
1963
(Hyper)polarizability of chalcogenophenes C4H4X (X = O, S, Se, Te) Conventional ab initio and density functional theory study
1998
Electron Diffraction as a Tool of Structural Chemistry
1976
Electronic potential energy surfaces for the reaction K+NaCl=KCl+Na
1968
Influence of Vibrations on Molecular Structure Determinations. II. Average Structures Derived from Spectroscopic Data
1962 StandoutNobel
Computer simulations of protein functions: Searching for the molecular origin of the replication fidelity of DNA polymerases
2005 StandoutNobel
Influence of Nonbonded Interactions on Molecular Geometry and Energy: Calculations for Hydrocarbons Based on Urey—Bradley Field
1967
Influence of Vibrations on Molecular Structure Determinations. I. General Formulation of Vibration—Rotation Interactions
1962 StandoutNobel
Far-Infrared Spectra of Crystalline Benzene at 138°K and Intermolecular Forces
1967
Controversial glycosaminoglycan conformations
1985 StandoutNatureNobel
Calculation of Electron Scattering Factors. I. Nonrelativistic Theory
1964 StandoutNobel
Influence of Vibrations on Molecular Structure Determinations. III. Inertial Defects
1964 StandoutNobel
The complete optical spectrum of liquid water measured by inelastic x-ray scattering
2000 StandoutNobel
Photoexcitation of the NaKCl Reaction Complex
1983 StandoutNobel
Electronic Structure of Tubular Aromatic Molecules Derived from the Metallic (5,5) Armchair Single Wall Carbon Nanotube
2004 StandoutNobel
Second and Fourth Moments of Chain Molecules
1965 StandoutNobel
Electron-Diffraction Structural Study of Polymeric Gaseous Hydrogen Fluoride
1969
Dipole Moments in Relation to Configuration of n-Alkane Chains Bearing α, ω Dipolar Substituents
1965 StandoutNobel
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
1996 Standout
Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene
2003
Self-interaction correction to density-functional approximations for many-electron systems
1981 Standout
Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes
1970 StandoutNobel
Addenda: Inelastic collisions of fast charged particles with atoms and molecules—The Bethe theory revisited
1978 Standout
Structural Aspects of Aromaticity
2001
Electron Diffraction Investigation of Dimethyl Diselenide
1971 StandoutNobel
Molecular beam kinetics: Angular distributions and chemiluminescence in reactions of alkali dimers with halogen atoms and molecules
1975 StandoutNobel
Electron diffraction investigation of 1-methoxycyclohexene
1973 StandoutNobel
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
1983 Standout
Anharmonicity in Crystal Vibrations
1971 StandoutNobel
Molecular inelastic neutron scattering: Computational methods using consistent force fields
1974 StandoutNobel
Conformational analysis—CI
1974
Potential functions and conformations in cycloalkanes
1967
An all-electron numerical method for solving the local density functional for polyatomic molecules
1990 Standout
Reactive and nonreactive modes of electronic excitation and molecular dissociation in hyperthermal collisions of alkali atoms with alkali halides
1975 StandoutNobel
Theory of Molecular Interactions. II. Molecular Orbital Studies of HF Polymers Using a Minimal Slater-Type Basis
1971 StandoutNobel
Hartree–Fock approximation for D-dimensional two-electron atoms
1986 StandoutNobel
Oxidation of 4a,4b-Dihydrophenanthrenes. III. A Theoretical Study of the Large Kinetic Isotope Effect of Deuterium in the Initiation Step of the Thermal Reaction with Oxygen
1970 StandoutNobel
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
1992 Standout
Molecular structures of neopentane and di-tert-butylmethane by vapor-phase electron diffraction
1977
An electron diffraction study of alkali chloride vapors
1985
Molecular Beam Kinetics: Four-Atom Collision Complexes in Exchange Reactions of CsCl with KCl and KI
1972 StandoutNobel
Can (semi)local density functional theory account for the London dispersion forces?
1994
Separation of the energetic and geometric contributions to the aromaticity of π-electron carbocyclics.
1996
Two sources of the decrease of aromaticity: Bond length alternation and bond elongation. Part II. An analysis based on geometry of the singlet and triplet states of 4nπ annulenes: C4H4, C5H5+, C6H62+, C7H7−, C8H8, C9H9+
1999
Works of D. A. Kohl being referenced
Conformational Analysis. The Structure and Torsional Potential of 1,3-Butadiene as Studied by Gas Electron Diffraction.
1980
On the calculation of elastic electron scattering cross sections from molecular wavefunctions: CF4 and CH4
1984
Simple Correlated Wavefunctions for the Ground State of Heliumlike Atoms
1966
On the Difference in Energy between Singlet and Triplet States
1972
An electron diffraction investigation of the reaction intermediate in the gas-phase bromination of ethylene
1974
A variational treatment of the effects of vibrational anharmonicity on gas-phase electron diffraction intensities
1981
Effect of Bond Formation on Electron Scattering Cross Sections for Molecules
1967
On an electron diffraction study of the structure of the dibromomethylene radical
1974
Electron diffraction study of the thermal decomposition of BrCCl3
1973
Modification to the Newton—Raphson Method for the Fitting of Nonlinear Functions by Least Squares
1963
Least-Squares Determination of Structures of Gas Molecules Directly from Electron-Diffraction Intensities
1965
Electron-diffraction study of the structure of 1,2,7,8-diepoxyoctane
1974
Structure and Rotational Isomerization of Free Hydrocarbon Chains
1963
The Molecular Structures of n-Pentane, n-Hexane and n-Heptane1
1959
Electron Densities from Gas-Phase Electron Diffraction Intensities. I. Preliminary Considerations
1969
Molecular Structure of Gaseous d,l-1,2,3,4-Diepoxybutane from Electron Diffraction Data
1972