Self-Consistent Group Calculations on Polyatomic Molecules. IV. Substituted Methanes

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

Atomic Screening Constants from SCF Functions

1963 • 2,375 citations

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

1965 • 1,701 citations

Tables of experimental dipole moments

1963 • 1,571 citations

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

1965 • 1,074 citations

The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

1953 • 434 citations

Localized Atomic and Molecular Orbitals. II

1965 • 305 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

Ab Initio Calculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH

1967 • 147 citations

Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

1965 • 142 citations

A molecular orbital theory of hydrocarbons

1964 • 126 citations

Criteria for bond orbitals and optimum hybrids

1968 • 60 citations

Theory of the Origin of the Internal-Rotation Barrier in the Ethane Molecule. I

1965 • 57 citations

An Approach to the Internal Rotation Problem

1963 • 54 citations

Theory of the Origin of the Internal-Rotation Barrier in the Ethane Molecule. II

1966 • 48 citations

Self-Consistent Group Calculations on Polyatomic Molecules. II. Hybridization and Optimum Orbitals in Water

1965 • 43 citations

Gaussian expansions of minimal STO basis for calculations in molecular quantum mechanics

1969 • 37 citations

Triple Bond in N2 and CO

1967 • 15 citations

Note on the Internal Rotation Problem

1960 • 14 citations

Bond angle deformation and hybridization in H2O

1969 • 14 citations

Minimum basis self-consistent group function calculations

1968 • 13 citations

Self‐consistent group calculations on polyatomic molecules V. Molecules with a double or triple bond

1970 • 8 citations

Chamical bond in hydrogen fluoride

1968 • 3 citations