Toward the spectroscopic identification of vinylidene, H2C=C

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

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Configuration interaction calculations on the nitrogen molecule

1974 • 2,810 citations

The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications

1979 • 363 citations

The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species

1979 • 210 citations

Gradient techniques for open-shell restricted Hartree–Fock and multiconfiguration self-consistent-field methods

1979 • 199 citations

A systematic theoretical study of harmonic vibrational frequencies: The ammonium ion NH4+ and other simple molecules

1980 • 182 citations

Vinylidene: a very shallow minimum on the C2H2 potential energy surface

1981 • 140 citations

The vinylidene-acetylene rearrangement. A self-consistent electron pairs study of a model unimolecular reaction

1978 • 118 citations

Theoretical studies of the low-lying states of vinylidene

1977 • 61 citations

Low-lying electronic states of unsaturated carbenes. Comparison with methylene

1978 • 52 citations

Absence of an energetically viable pathway for triplet 1,2 hydrogen shifts. A theoretical study of the vinylidene-acetylene isomerization

1978 • 47 citations

Reaction of diatomic carbon with alkanes and ethers. Trapping of alkylcarbenes by vinylidene

1972 • 42 citations

Electron repulsion integrals and symmetry adapted charge distributions

1973 • 41 citations

An excited state of acetylene: Photochemical and spectroscopic evidence

1980 • 40 citations

Formation of vinylidenecarbene intermediates in multiple infrared photon elimination reactions

1980 • 34 citations