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Citing Papers
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2023 Standout
”Developing paradigms of chemical bonding: adaptive natural density partitioning
2008 Standout
Cerebral representations for egocentric space: Functional-anatomical evidence from caloric vestibular stimulation and neck vibration
2001 Standout
Magnetic Spin Susceptibility of AsF 5
1978 StandoutNobel
A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism
1979
Observation of orbiting resonances in the integral cross section of H–Xe
1974
Crossed-Beam Determination of Na—Rare-Gas Fine-Structure-State—Changing Cross Sections
1977 StandoutNobel
Valence Electron Spectra of Benzene and the Hexafluorides of Sulphur, Molybdenum, Tungsten and Uranium. An Application of Multichannel Detector Technique to UV-Valence Electron Spectroscopy
1976 StandoutNobel
Analytical matrix elements for non-curve-crossing situations
1980
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
1999 Standout
E.S.R. spectra of matrix isolated alkali atom clusters
1976 StandoutNobel
The multiconfigurational spin-tensor electron propagator method for determining vertical principal and shake-up ionization potentials for open shell and highly correlated atoms and molecules
1987
Experimental evidence for “cascading”; rapid vibrational relaxation with retention of rotational quantum number
1976 StandoutNobel
A generalization of the hartree-fock one-particle potential
2009
The 1994 Alcan Award Lecture Density functional theory as a practical tool in studies of organometallic energetics and kinetics. Beating the heavy metal blues with DFT
1995
A Mo/ller–Plesset study of the electron affinities of the diatomic hydrides XH (X=Li, B, Be, C, N, O)
1986
Hydrogen–atom scattering: Energy dependence of the total collision cross section for mercury
1975 StandoutNobel
ELECTRON CORRELATION IN LARGE MOLECULES WITH MANY‐BODY METHODS
1981
Brain, Vision, Memory
1998
Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case
1983 StandoutNobel
Trajectory studies of atomic recombination reactions. V. Recombination of bromine atoms
1973
Theoretical predictions of stable negative ions: HF−, LiH−, NaH−
1975
The direct configuration interaction method with a contracted configuration expansion
1977
Gaussian-1 theory: A general procedure for prediction of molecular energies
1989 StandoutNobel
Electron affinities by a variation-perturbation approach
1977
Vibrational relaxation in seeded supersonic alkali halide beams
1977 StandoutNobel
An efficient internally contracted multiconfiguration–reference configuration interaction method
1988 Standout
Application of cluster expansion techniques to open shells: Calculation of difference energies
1984
Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin-contaminated wave functions?
1988 StandoutNobel
EOM/propagator ionization potentials: Prediction of complete valence-shell ionization spectra using direct diagonalization
1983
Metal-Insulator Transition and Antiferromagnetism in a One-Dimensional Organic Solid
1972 StandoutNobel
Energy distribution among reaction products. X. H + ICl → HCl + I, H + ClBr → HCl + Br, HBr + Cl
1977 StandoutNobel
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
2000 Standout
PNO-CI and CEPA studies of electron correlation effects. VI. Electron affinities of the first-row and second-row diatomic hydrides and the spectroscopic constants of their negative ions
1978
Chemistry with ADF
2001 Standout
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010 Standout
Localized Orbitals for Molecular Quantum Theory. I. The Hückel Theory
1969 StandoutNobel
Theoretical studies of molecular ions: Be−2
1976
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
The density functional formalism, its applications and prospects
1989 Standout
Small elemental clusters. I. The structures of Be2, Be3, Be4, and Be5
1980 StandoutNobel
The electronic structure of molecules by a many-body approach
1975
Spectroscopy of the transition state. II. F+Na2→FNaNa‡*→NaF+Na*
1983 StandoutNobel
Theoretical study of the C–H bond dissociation energy of acetylene
1989 StandoutNobel
Quantum theory of molecular electronic structure
1980
Quantum Monte Carlo simulations of solids
2001 Standout
Electron affinity of hydroxyl radical
1986
A simple DWBA (‘‘Franck–Condon’’) treatment of H-atom transfers between two heavy particles
1984 StandoutNobel
Theoretical Study of Negative Molecular Ions
2011
Galen: Works on Human Nature
2018
Recombination resonances in thermal H + O2 scattering
1995
Accurate theoretical estimates of the electron affinities of AH molecules by isogyric comparisons. Proton affinities of AH− anions
1988 StandoutNobel
A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
1982 Standout
The electronic structure of molecules by a many-body approach. I. Ionization potentials and one-electron properties of benzene
1976
Coupled-cluster theory in quantum chemistry
2007 Standout
A uniform approximation for one-dimensional matrix elements
1975
Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4
1977
Continuum radiation and potentials of Na–noble gas molecules
1975
All-Metal Aromaticity and Antiaromaticity
2005
Second-order perturbation theory with a complete active space self-consistent field reference function
1992 Standout
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Valence and core-shakeup photoelectron spectra of solid polyacetylene and related free model molecules
1992 StandoutNobel
Classical and quantum centrifugal decoupling approximations for HCl–Ar
1977 StandoutNobel
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
Laser spectroscopic measurement of weakly attractive interatomic potentials: The Na+Ar interaction
1977 StandoutNobel
Valence Electron Spectrum of C6H6Excited by Linearly Polarized HeI Radiation
1977 StandoutNobel
Current Status of Transition-State Theory
1996 Standout
Interaction potentials for Br(2P)+Ar, Kr, and Xe (1S) by the crossed molecular beams method
1981 StandoutNobel
Chemiluminescence during the course of a reactive encounter; F+Na2→FNaNa‡*→NaF+Na*
1980 StandoutNobel
The dispersed fluorescence spectrum of NaAr: Ground and excited state potential curves
1979 StandoutNobel
Energy distribution among reaction products. XIV. F + CH4, F + CH3X(X Cl, Br, I), F + CHnCl4−n(n = 1−3)
1981 StandoutNobel
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
1993 Standout
Collision induced dissociation: A statistical theory
1973
The evaluation of molecular electron affinities
1986
Reactive and nonreactive modes of electronic excitation and molecular dissociation in hyperthermal collisions of alkali atoms with alkali halides
1975 StandoutNobel
Valence Electron Structure of the SF6and CS2Molecules, Studied in High Resolution X-ray Emission
1978 StandoutNobel
Electron affinity of the HC2 radical
1978
Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
1983 Standout
Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical
1987 StandoutNobel
An iterative variational method and its application to configuration interaction
1978 StandoutNobel
Space-fixed vs body-fixed axes in atom-diatomic molecule scattering. Sudden approximations
1974
Works of Wesley D. Smith being referenced
The Hippocratic Tradition
1980
Asymptotic Evaluation of WKB Matrix Elements. II. Use of Langer's Uniform Asymptotic Wavefunctions
1970
Near-resonant vibration-rotation energy transfer in atom-diatom collisions. Ar-OH(A2Σ+)
1972
Theoretical studies of molecular ions. Vertical detachment energy of OH−
1974
Theoretical studies of molecular ions. Vertical ionization potentials of hydrogen fluoride
1974
Theory of electron affinities of small molecules
1973
On the Mechanism of Low-Temperature Termolecular Atomic Recombination
1972
The Hippocratic Tradition
1979
Theoretical studies of molecular ions. Vertical ionization potentials of the nitrogen molecule
1974