Ab-initio calculations on small hydrides including electron correlation

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Introduction to Magnetic Resonance

1967 • 1,564 citations

Electronic spectra and electronic structure of polyatomic molecules

1966 • 1,481 citations

Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another

1960 • 1,204 citations

Dissociation energies and spectra of diatomic molecules

1953 • 620 citations

Growth properties of solutions of the reduced wave equation with a variable coefficient

1959 • 409 citations

Dissociation Energies and Spectra of Diatomic Molecules

1969 • 399 citations

An Improvement in the π-Electron Approximation in LCAO MO Theory

1953 • 351 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

A. G. Gaydon: Dissociation Energies and Spectra of Diatomic Molecules, 3. Auflage. Chapman & Hall, Ltd., London 1968. 330 Seiten. Preis: 63 s

1969 • 148 citations

Negative Ions and the Magnetron

1969 • 107 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Infrared Spectrum of the Methyl Radical in Solid Argon

1967 • 105 citations

Calculation of Fermi Contact Hyperfine Splitting for Small Atoms and Molecules

1969 • 66 citations

Theory of the Hyperfine Splittings of Pi-Electron Free Radicals. II. Nonempirical Calculations of Methyl Radical (Planar)

1970 • 66 citations

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

1965 • 43 citations

Ab initio calculations of small hydrides including electron correlation

1973 • 43 citations

Potential-Energy Surfaces of CH3+ and CH3−

1969 • 43 citations

Asymptotic behaviour of atomic bound state wavefunctions

1972 • 39 citations

Configuration Interaction Wavefunctions and Computed Inversion Barriers for NH3 and CH3−

1972 • 37 citations

All-electron calculations of open-shell polyatomic molecules I. SCF wave function in gaussians for methyl and vinyl radicals

2009 • 27 citations

All electron calculations of open‐shell polyatomic molecules. III. Perturbation treatment of the spin polarization in vinyl and methyl radicals

1972 • 27 citations

Near-Molecular Hartree—Fock Wavefunction for CH3+

1967 • 24 citations

σ and π Electrons in theoretical organic chemistry

2006 • 20 citations

Gaussian wave functions for CH₃ and NH

1972 • 5 citations