Tetrahedral methane without 2s → 2p promotion and hybridization: Direct calculation of the effects of promotion and hybridization in CH4, NH3, H2O, and H2S

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULES

1931 • 1,197 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Inorganic stereochemistry

1957 • 783 citations

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

1966 • 432 citations

Directed Valence in Polyatomic Molecules

1931 • 323 citations

Localized Atomic and Molecular Orbitals. II

1965 • 305 citations

Accurate Analytical Self-Consistent Field Functions for Atoms. II. Lowest Configurations of the Neutral First Row Atoms

1962 • 294 citations

On the Effects of Intramolecular van der Waals Forces

1960 • 292 citations

Molecular geometry: Bonded versus nonbonded interactions

1968 • 210 citations

Gaussian Expansion of Hydrogen-Atom Wavefunctions

1963 • 201 citations

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

1967 • 189 citations

Bakerian Lecture: Stereochemical types and valency groups

1940 • 175 citations

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

1969 • 146 citations

Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

1972 • 123 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

One-Center Expansion Wavefunctions for CH3−, CH4, and CH5+

1965 • 75 citations

Localized Orbitals for Polyatomic Molecules. I. The Transferability of the C–H Bond in Saturated Molecules

1969 • 59 citations

Molecular force fields. I. The structure of the water molecule

1948 • 58 citations

Heats of Reaction from Hartree—Fock Energies of Closed-Shell Molecules

1967 • 46 citations

Merged Gaussian lobe basis SCFMO calculations

1971 • 8 citations

Localized molecular orbitals and bonding in inorganic compounds

2006 • 4 citations