Molecular structure of the methyl anion CH−3. An investigation of the effects of electron correlation using the theory of self-consistent electron pairs (SCEP)

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

1971 • 2,165 citations

Electronic spectra and electronic structure of polyatomic molecules

1966 • 1,481 citations

Quantum chemistry program exchange

1987 • 1,001 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

1965 • 699 citations

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

1976 • 352 citations

Temporary negative ions and electron affinities of benzene and N-heterocyclic molecules: pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine

1975 • 326 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

1975 • 309 citations

Electron transmission spectroscopy: Resonances in triatomic molecules and hydrocarbons

1973 • 275 citations

Hartree-Fock-Roothaan wavefunctions for diatomic molecules

1974 • 273 citations

The electronic structure of atoms and molecules : a survey of rigorous quantum mechanical results

1972 • 224 citations

Critical evaluation of chemical and physical structural information

1975 • 203 citations

Hartree-Fock Wavefunctions, Potential Curves, and Molecular Properties for OH−(1Σ+) and SH−(1Σ+)

1967 • 151 citations

Laser photoelectron spectrometry of methylene(1-). Singlet-triplet splitting and electron affinity of methylene

1976 • 142 citations

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

A theory of self-consistent electron pairs. Computational methods and preliminary applications

1976 • 125 citations

A Floating spherical Gaussian orbital model of molecular structure. III. First-row atom hydrides

1968 • 109 citations

High resolution photodetachment study of OH− and OD− in the threshold region 7000–6450 Å

1974 • 108 citations

Negative Ions and the Magnetron

1969 • 107 citations

One-Center Expansion Wavefunctions for CH3−, CH4, and CH5+

1965 • 75 citations

Electron affinity of the methyl radical: Structures of CH ₃ and CH ₃ -

1977 • 70 citations

Ab-initio calculations on small hydrides including electron correlation

1973 • 66 citations

Structures of simple anions from ab initio molecular orbital calculations

1976 • 64 citations

The electronic structure and stability of CH+5 and CH−5

1970 • 44 citations

Potential-Energy Surfaces of CH3+ and CH3−

1969 • 43 citations

Configuration Interaction Wavefunctions and Computed Inversion Barriers for NH3 and CH3−

1972 • 37 citations

A Hartree—Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species

1973 • 30 citations

Stereochemical consequences of adjacent electron pairs. Theoretical study of rotation-inversion in ethylene dicarbanion

1972 • 25 citations

Near-Molecular Hartree—Fock Wavefunction for CH3−

1967 • 19 citations

Ab initio quantum organic chemistry—I

1971 • 17 citations

Structural studies using molecular orbital theory

1976 • 13 citations