Ab initio calculation of geometries and hfs constants of CH3, SiH3 and GeH3 radicals

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

1955 • 1,103 citations

Cluster expansion of the wavefunction. Symmetry-adapted-cluster expansion, its variational determination, and extension of open-shell orbital theory

1978 • 645 citations

Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock Approximation

1955 • 448 citations

ESR of Free Radicals Trapped in Inert Matrices at Low Temperature: CH3, SiH3, GeH3, and SnH3

1966 • 141 citations

Cluster expansion of the wavefunction. Pseduo-orbital theory applied to spin correlation

1977 • 116 citations

Electrostatic force theory for a molecule and interacting molecules. I. Concept and illustrative applications

1973 • 113 citations

Electron Spin Resonance of Free Radicals Formed from Group-IV and Group-V Hydrides in Inert Matrices at Low Temperature

1968 • 107 citations

469. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part IV. Tetratomic hydride molecules, AH3

1953 • 99 citations

Cluster expansion of the wavefunction. Pseudo-orbital theory based on the SAC expansion and its application to the spin density of open-shell systems

1978 • 80 citations

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

1970 • 66 citations

A b i n i t i o study of the vibrational dependence of hyperfine coupling constants in the methyl, silyl, and formaldehyde anion radicals

1980 • 64 citations

On the Unrestricted Hartree–Fock Wavefunction

1969 • 62 citations

Calculation of Extended Hartree-Fock Wavefunctions

1968 • 54 citations

A b i n i t i o calculation of hyperfine splitting constants of molecules

1980 • 53 citations

The electronic structure of the germyl anion GeH3−. A comparison with other AH3− species

1980 • 45 citations

Structure and 73Ge Coupling of the GeH3 Radical

1967 • 38 citations

A b i n i t i o study of the electronic structure and hyperfine coupling in simple hydrocarbon radicals. I. Test of the calculation method on methyl and vinyl

1975 • 37 citations

Electrostatic force theory for a molecule and interacting molecules. II. Shapes of the ground- and excited-state molecules

1973 • 33 citations

Ci calculations of the low lying electronic states of the radical SiH3, SiH+3 and SiH−3

1973 • 30 citations

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

1972 • 27 citations

Ab initio studies of hyperfine coupling in free radicals. II. Methyl and fluoromethyl radicals, and .alpha.-fluorine spin coupling parameters

1972 • 26 citations

An INDO-molecular orbital study of vibronic effects in isotopically substituted methyl radicals

1968 • 23 citations

Non-empirical calculations on the conformation and hyperfine structure of the silyl radical influence of vibrational effects

1979 • 18 citations

A theoretical study of the temperature dependence of isotropic hyperfine coupling constants for the ·CH₃and ·CH₂OH radicals

1978 • 12 citations

Theoretical study of the structure of some trigonal radicals

1974 • 11 citations