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

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Electronic Spectra of Polyatomic Molecules

1941 • 1,350 citations

Electron Spin Resonance Studies of Transient Alkyl Radicals

1963 • 1,250 citations

Stability conditions and nuclear rotations in the Hartree-Fock theory

1960 • 818 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

Chemically Induced Magnetic Polarization

1977 • 435 citations

ESR Spectra and Structure of the Fluorinated Methyl Radicals

1965 • 308 citations

Electron spin resonance spectra of some isotopically substituted hydrocarbon radicals

1967 • 290 citations

Alternant molecular orbital method

1967 • 277 citations

Microwave Spectrum of NO2: Fine Structure and Magnetic Coupling

1964 • 203 citations

Atomic Hyperfine Structure. II. First-Order Wave Functions for the Ground States of B,C,N,O, and F

1969 • 137 citations

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

1977 • 116 citations

Isomerization and electron spin resonance of allylic radicals

1968 • 113 citations

Atomic Hyperfine Structure. I. Polarization Wave Functions for the Ground States of B, C, N, O, and F

1968 • 111 citations

13C Hyperfine Splittings in the Electron Spin Resonance Spectra of HCO and FCO

1966 • 101 citations

Electron Spin Resonance Spectra of the N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>…

1958 • 91 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

The structure of the ethyl radical

1978 • 76 citations

Core Polarization and Hyperfine Structure of the B, C, N, O, and F Atoms

1969 • 69 citations

A b i n i t i o study of the electronic structure and hyperfine coupling properties in simple hydrocarbon radicals. II. Short-range and long-range interactions in alkyl free radicals

1975 • 69 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

Wavefunctions and Correlation Energies for Two-, Three-, and Four-Electron Atoms

1968 • 64 citations

Spin-Projected and Extended SCF Calculations

1967 • 64 citations

On the Unrestricted Hartree–Fock Wavefunction

1969 • 62 citations

ESR Spectrum of O3− Trapped in a Single Crystal of Potassium Chlorate

1972 • 59 citations

A b i n i t i o calculation of spin densities in hydrocarbon radicals

1979 • 55 citations

Calculation of Extended Hartree-Fock Wavefunctions

1968 • 54 citations

Magnetic Hyperfine Structure of Lithium

1967 • 49 citations

On the orbital theories in the spin-correlation problems. II. Unrestricted and spin-extended Hartree-Fock theories

1973 • 37 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

Cluster expansion of the wavefunction. Structure of the closed-shell orbital theory

1978 • 33 citations

Stereochemistry of cyclopropyl radicals by electron spin resonance

1977 • 33 citations

The electron spin resonance spectrum of the NF₂radical trapped in inert matrices at 4·2°K

1964 • 30 citations

Spin Polarization and Spin Delocalization in Unrestricted Hartree–Fock Method

1969 • 29 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

Theoretical analysis of long-range hyperfine interactions in bicyclic free radicals. Application conditions for the W and anti-W rules

1978 • 20 citations

CRYSTAL STRUCTURE OF POTASSIUM OZONIDE

1963 • 19 citations

Semi-empirical Unrestricted SCF-MO Treatment for Valence Electron Systems. II. The Angular Dependence of the Methyl GrouphfsConstants

1970 • 10 citations