Near-Hartree-Fock assessment of reorganization effects in ionic states of acetylene

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Criteria for the Construction of Good Self-Consistent-Field Molecular Orbital Wave Functions, and the Significance of LCAO-MO Population Analysis

1962 • 608 citations

Excited States of H2O using improved virtual orbitals

1969 • 599 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

The theoretical description of the (ππ*) excited states of ethylene

1969 • 118 citations

Study of the Electronic Structure of Molecules. XVII. Analysis of the Formation of the Acetylene, Ethylene, and Ethane Molecules in the Hartree-Fock Model

1972 • 83 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Sigma and Pi Changes in Valence States of Pi-Electron Theory and One-Center Coulomb Repulsion Parameters

1965 • 56 citations

Mass Spectrometric Study of the Photoionization of Acetylene and Acetylene-d2

1964 • 33 citations

Sigma and Pi Electronic Reorganization in Acetylene

1967 • 28 citations

Vibration-rotation bands of acetylene and the molecular dimensions

1956 • 27 citations

Correlation effects in the neutral and ionized ground states of acetylene

1973 • 16 citations

.sigma. and .pi. Electronic structures in the ground, triplet, and ionic states of ethylene

1970 • 7 citations