Application of an economical method for the calculation of molecular correlation energies to the study of a potential energy surface: The HO2 radical dissociation process

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 citations

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Many-Electron Theory of Nonclosed-Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

1966 • 203 citations

Comparison of theab initioforce constants of ethane, ethylene and acetylene

1974 • 119 citations

Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations

1974 • 92 citations

Ab initio evaluation of the fine structure of the oxygen molecule

1974 • 70 citations

Geometry and electronic structure of the hydroperoxyl radical

1971 • 54 citations

Hartree-Fock, correlation and term energies of valence excited states of atoms and ions of the second row of the periodic table

1970 • 51 citations

Theoretical characterization of the potential energy curve for hydrogen atom addition to molecular oxygen

1981 • 43 citations

The near infra-red emission band of DO₂: determination of the molecular geometry

1979 • 42 citations

A method for molecular correlation energy calculations. Application to the determination of dissociation energies of diatomic and polyatomic molecules

1981 • 39 citations

Étude des réactions chimiques de l'ozone dans la stratosphère

1978 • 31 citations

Comparative theoretical study of the dissociation process of the isoelectronic molecules BH3CO, CH2CO, HNCO, CO2 and BH3N2, CH2N2, HN3, N2O

1982 • 27 citations

A simplified method for molecular correlation energy calculations by separation into internal and non-internal parts. Application to multiconfigurational zeroth-order wavefunctions

1982 • 27 citations