Citation Impact
Citing Papers
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Attosecond dynamics of multi-channel single photon ionization
2022 StandoutNobel
Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand
2015 StandoutNobel
Shannon entropy as a new measure of aromaticity, Shannon aromaticity
2010
Probing Single-Photon Ionization on the Attosecond Time Scale
2011 StandoutNobel
Electronic Structure and Inversion Barrier of Ammonia
1970
Density-functional thermochemistry. III. The role of exact exchange
1993 Standout
Magnetische Effekte in zweiatomigen 1Σ‐Molekülen
1961
Ab initio computations on H2S: LCAOSCF wave functions without d orbitals
1970
Molecular Orbitals for Large Molecules. V. Parameterization from SCF Matrices of Related Small Molecules
1968 StandoutNobel
A new mixing of Hartree–Fock and local density-functional theories
1993 Standout
Evolution from Threshold of a Hollow Atom's X-Ray Emission Spectrum: The CuK h α 1 , 2
2000 StandoutNobel
Self-Consistent Molecular-Orbital Methods. VII. Convergence of Gaussian Expansions of Slater-Type Atomic Orbitals in Calculations of First- and Second-Order Properties
1970 StandoutNobel
Reversible Dioxygen Binding to Hemerythrin. 1. Electronic Structures of Deoxy- and Oxyhemerythrin
1999
Interdimensional degeneracies, near degeneracies, and their applications
1986 StandoutNobel
A theoretical study of the energies of BHn compounds
1988 StandoutNobel
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
1971 StandoutNobel
Advances in Molecular Diamagnetism
1966
Configuration interaction studies of the HeH+ molecular ion. IV. The triplet sigma, pi, and delta states
1978
Preliminary results on the performance of a family of density functional methods
1992 StandoutNobel
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
1976 Standout
Ab Initio Calculation of Harmonic Force Constants
1966
SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN−, HCN, N3−, HN3, NCO−, and HNCO
1968
Some Recent Results concerning the Electronic Density and the Force Constants of Small Molecules
1960
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
1972 StandoutNobel
Polyatomic SCF Calculations Utilizing Anisotropic Basis Sets of Slater-type Orbitals
1969 StandoutNobel
Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH3, H2O and HF
1963
Inelastic x-ray scattering of dense solid oxygen: Evidence for intermolecular bonding
2008 StandoutNobel
The structure of the chromophore within DsRed, a red fluorescent protein from coral
2000 StandoutNobel
Multiplet generalized oscillator strengths and inelastic scattering cross sections calculated including the electron correlation effects: Transitions of neutral atoms: Be, B, C, N, and O
1975
Molecular SCF Calculations on PH3, PO, PO−, and P2
1967 StandoutNobel
Some One-Electron Properties of H2O and NH3
1967
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Molecular SCF Calculations for GaF, GaH3, GeH4, AsH3, and H2Se
1970 StandoutNobel
Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules
1970 StandoutNobel
Spectroscopic Study of [Fe2O2(5-Et3-TPA)2]3+: Nature of the Fe2O2 Diamond Core and Its Possible Relevance to High-Valent Binuclear Non-Heme Enzyme Intermediates
2003
Theory of molecular interactions. III. A comparison of studies of H2O polymers using different molecular-orbital basis sets
1973 StandoutNobel
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
2004 Standout
Electronic Structure of Diatomic Molecules. VII.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the Second-Row Hydrides, AH
1967
Perturbed Hartree—Fock Calculations. IV. Second-Order Properties of the Fluorine Molecule
1964 StandoutNobel
Semiempirical Molecular Orbital Calculations. I. The Electronic Structure of H2O and H2S
1966
Absolute Photoionization Cross Sections of Excited He States in the Near-Threshold Region
1999 StandoutNobel
The performance of a family of density functional methods
1993 StandoutNobel
Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
1976 StandoutNobel
Stark hyperfine structure of hydrogen bromide
1977 StandoutNobel
Emission spectra of bound helium hydride
1985 StandoutNobel
Non-empirical LCAO-MO-SCF calculations of the electronic structure of SiF2
1973
Magnetic Properties of Hydrogen Fluoride. II. Susceptibility
1962
Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule
1963 StandoutNobel
Spatial correlation of atomic electrons: He
1978
Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants
1970 StandoutNobel
Molecular SCF Calculations for SiH4 and H2S
1969 StandoutNobel
Self-Consistent-Field Wavefunctions and Computed Potential-Energy Curves for the NH3 and NH Molecules, in One-Center Approximation
1965
Anharmonic Potential Constants and Their Dependence upon Bond Length
1961 StandoutNobel
The complete optical spectrum of liquid water measured by inelastic x-ray scattering
2000 StandoutNobel
Photoionization of atoms using synchrotron radiation
1992
Multiple-scatteringXαstudy of the silicon and chlorine core-level photoabsorption spectra ofSiCl 4
1989
Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods
1974 StandoutNobel
Anab initioSCF-LCAO-MO study of the phosphorus pyramidal inversion process in phosphine
1972 StandoutNobel
PNO–CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first and second row diatomic hydrides and the spectroscopic constants of their ions
1977
Self-interaction correction to density-functional approximations for many-electron systems
1981 Standout
Addenda: Inelastic collisions of fast charged particles with atoms and molecules—The Bethe theory revisited
1978 Standout
One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water
1968
Photoionization in the time and frequency domain
2017 StandoutScienceNobel
The Calculation of Electronic Properties of BH4-, CH4and NH4+using One-centre Self-consistent Field Wave Functions
1963
Density difference representation of electron correlation
1978
Rotational magnetic moment spectra of a series of tetrahedral molecules
1976 StandoutNobel
An all-electron numerical method for solving the local density functional for polyatomic molecules
1990 Standout
SCF Matrix Elements for a Phosphorus Oxide Anion
1968 StandoutNobel
Electronic Calculation on NH3. Harmonic Force Constants, Infrared and Ultraviolet Spectra
1962
The Nature of the Long Bond in 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[b]naphthene
1998 StandoutNobel
First and second derivatives of two electron integrals over Cartesian Gaussians using Rys polynomials
1984 StandoutNobel
Calculation of Magnetic Susceptibility and Proton Shielding in Methane
1967 StandoutNobel
Proton-Coupled Electron Transfer
2012 Standout
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
1989 Standout
Magnetic Susceptibility of Molecular Carbon: Nanotubes and Fullerite
1994 StandoutScienceNobel
The influence of polarization functions on molecular orbital hydrogenation energies
1973 StandoutNobel
Works of K. E. Banyard being referenced
Diamagnetism as a Test of Wave Functions for Some Simple Molecules
1960
Appraisal of Some One-Center Calculations for the Neon- and Argonlike Series of Molecules
1966
Central-Field Approach for NH3 and H2O
1957
Momentum space correlation effects in the 23S, 21P and 23P states of He
1987
Analysis of Electron Correlation in Two-Electron Systems. I. H−, He, and Li+
1969
United-Atom Approximation Applied to Argonlike Molecules. III. HCl and SiH4
1966
The Calculation of Molecular Orbitals
1980
Correction Functions to Hartree-Fock Orbitals Derived from Correlated Wave Functions for He-, Li-, and Be-Like Ions
1973
Coulomb correlation in the 21S, 23S, 21P and 23P states of He
1982
Coulomb holes and correlation coefficients for electronic shells: The Be-like ions
1977
United-Atom Approximation Applied to Argonlike Molecules. I. Hydrogen Sulfide
1964
Distribution of Electrons in the Water Molecule
1957
Radial Distribution of Electrons in the Ammonia and Hydrogen Sulfide Molecules
1962
X-ray scattering by `neon-like' molecules
1956
United-Atom Approximation Applied to Argonlike Molecules. II. PH2−, PH3, and PH4+
1965
Potential energy curves and spectroscopic constants for BeH+, BH and CH+
1975
Some expectation values for Be-like ions derived from pair-correlated wave functions
1976
The influence of electron correlation on generalized oscillator strengths for He
1974
Correlation of Electrons Within the Hydride Ion
1968
Diamagnetic Susceptibility of Ne, NH3 and CH4
1961
Generalized oscillator strengths for the( 1 s 2 2 s 2 ) S 1 → ( 1 s 2 2 s 2 p ) P 1
1974
Coulomb holes and expectation values. II. Configuration interaction wavefunctions
1973
Molecular formation and electron correlation in HeH+
1970
Coulomb holes and expectation values. I. Explicitly correlated wavefunctions
1973