Computation of molecular geometries for singlet excited states

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

1965 • 1,701 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

Applicability of Roothaan's Self-Consistent Field Theory

1960 • 107 citations

Approximate self-consistent field molecular orbital calculations for valence shell electronic states

1967 • 81 citations

Calculation of Equilibrium Bond Lengths by the CNDO Method

1967 • 50 citations

Semiempirical Molecular-Orbital Theory of Molecular Spectra. II. Approximate Open-Shell Theory

1967 • 48 citations

Absorption spectrum of ketene in the visible and near ultra-violet

1966 • 45 citations

Calculation of Wavefunctions for the Excited States of Polyatomic Molecules

1970 • 39 citations

The CNDO geometry of ethylene in the first singlet excited state

1969 • 10 citations