Hartree—Fock calculation of the barrier to internal rotation in hydrogen peroxide

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Water Molecule Interactions

1970 • 620 citations

Internal-Rotation in Hydrogen Peroxide: The Far-Infrared Spectrum and the Determination of the Hindering Potential

1965 • 328 citations

Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

1964 • 226 citations

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

1967 • 189 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

Geometry Optimization in the Computation of Barriers to Internal Rotation

1970 • 126 citations

Relaxation during internal rotation ethane and hydrogen peroxyde

1970 • 72 citations

Origin of Rotational Barriers. II. Methylamine and Improved Wavefunctions for Hydrogen Peroxide

1967 • 59 citations

On the Determination of Barriers to Internal Rotation

1970 • 54 citations

On the Internal Rotation Potential in H2O2

1967 • 44 citations

Rotational Barriers in Hydrogen Peroxide

1971 • 28 citations

Theoretical study of the electronic structure and barriers to rotation in H2O2 and H2S2

1970 • 27 citations