Non-empirical SCF studies of the ring and open forms of ozone

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

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

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. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

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

1965 • 1,074 citations

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

1966 • 432 citations

Ground States of σ-Bonded Molecules. IV. The MINDO Method and Its Application to Hydrocarbons

1969 • 250 citations

Electronic structure of the open forms of three-membered rings

1971 • 156 citations

Geometry of Ozone and Azide Ion in Ground and Certain Excited States

1967 • 118 citations

Self-consistent-field wave functions, energies, multipole moments, diamagnetic susceptibility and shielding tensors, and electric field gradient tensors for nitrogen dioxide and ozone

1971 • 63 citations

Ground States of σ-Bonded Molecules. V. MINDO Treatment of Organic Compounds Containing Nitrogen or Oxygen

1969 • 36 citations

The Microwave Spectrum and Structure of Ozone

1953 • 25 citations

Possible existence of double minima in potential energy surfaces of AB2-type molecules

1968 • 24 citations