Thermochemistry in the Hartree-Fock Approximation

Spectra of diatomic molecules

1950 • 5,975 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Methods in Computational Physics

1964 • 2,231 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials

1951 • 565 citations

The Interpretation of Band Spectra Part III. Electron Quantum Numbers and States of Molecules and Their Atoms

1932 • 538 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

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

1953 • 434 citations

Our Knowledge of the Fundamental Constants of Physics and Chemistry in 1965

1965 • 383 citations

Correlation Energy for Atomic Systems

1963 • 341 citations

Localized Atomic and Molecular Orbitals. II

1965 • 305 citations

Approximate Atomic Wavefunctions

1971 • 287 citations

The Electronic Spectra of Cata-Condensed Hydrocarbons

1954 • 253 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

The molecular orbital theory of chemical valency. IV. The significance of equivalent orbitals

1950 • 192 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Dissociation Energies

1948 • 134 citations

A bibliography of ab initio molecular wave functions

1971 • 128 citations

Molecular Binding Energies

1966 • 127 citations

Equivalent orbitals in molecules of known symmetry

1949 • 120 citations

Electronic Structure of C2

1966 • 116 citations

Heats of reaction from self-consistent-field energies of closed-shell molecules

1969 • 97 citations

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

1967 • 82 citations

Methane as a Numerical Experiment for Polarization Basis Function Selection

1971 • 79 citations

Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane

1969 • 76 citations

Molecular Orbital Investigation of CF and SiF and Their Positive and Negative Ions

1971 • 74 citations

Electronic Structure of Ammonia

1957 • 70 citations

Oxygen Monofluoride (OF, 2π): Hartree–Fock Wavefunction, Binding Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments, and Spectroscopic Constants. A Comparison of Theoretical and Experimental Results

1970 • 63 citations

Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. III. Sodium Chloride

1968 • 59 citations

Quantum Calculations

1966 • 53 citations

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

1967 • 46 citations

SCF Wavefunctions for the NH3 Molecule. Potential-Energy Surface and Vibrational Force Constants

1968 • 45 citations

Study of the electronic structure of molecules. XI. Comments on some present aspects and tentative extrapolations

2009 • 26 citations

Approximate Hartree-Fock Calculations on Small Molecules

1967 • 21 citations

Convergent S. C. F. Wave Function and Properties of the Ammonia Molecule

1965 • 16 citations

Double orbital exponent SCF functions for H2O, NH3, CH4

1968 • 10 citations