A group contribution method applied to electronic correlation energies of molecules

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties

1958 • 717 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three-Membered Rings

1969 • 246 citations

Electronic Spectra of Isoelectronic Amides, Acids, and Acyl Fluorides

1968 • 190 citations

Origin of Rotational Barriers. I. Many-Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide

1967 • 189 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Thermodynamic Properties of Furan

1952 • 138 citations

Heats of reaction from self-consistent-field energies of closed-shell molecules

1969 • 97 citations

Relaxation during internal rotation ethane and hydrogen peroxyde

1970 • 72 citations

Ionization and dissociation energies of HF and DF and their bearing on Do0 (F2)

1970 • 62 citations

Ab initio calculations on furan with a new computer program

1971 • 59 citations

Benzene and Its Ionized States

1967 • 59 citations

Theoretical determination of the reaction path in the prototype electrocyclic transformation between cyclobutene and cis-butadiene. Thermochemical process

1971 • 55 citations

Interaction of a methyl group with a triple bond. Molecular self-consistent field calculation on methylacetylene

1967 • 46 citations

Ab initio studies of the electronic structures of BH3 BH2F, BHF2 and BF3

1970 • 44 citations

Rotational barriers in propene and its fluoro derivatives

1971 • 22 citations

Electronic structure of CH3CN and CH3NC : ab initio result

1972 • 17 citations

A quantum-chemical study of some properties and reactions of H₂CN⁻, H₂CN⁺, H₂CNH₂⁺, H₂CNH, and HCN, using small and intermediate-sized sets of basis functions

1970 • 12 citations

Some ab initio LCAO-MO-SCF studies of the electronic structure of cyclopropaneag]

1971 • 11 citations

Orbital population analysis and an approximate mo method

1971 • 9 citations