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

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

Electronic spectra and electronic structure of polyatomic molecules

1966 • 1,481 citations

Configuration interaction in orbital theories

1955 • 583 citations

The Stark Effect from the Point of View of Schroedinger's Quantum Theory

1926 • 509 citations

Gaussian basis set for molecular wavefunctions containing second-row atoms

1968 • 482 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

Electron spin resonance spectra of some isotopically substituted hydrocarbon radicals

1967 • 290 citations

Localization and Delocalization in Quantum Chemistry

1976 • 248 citations

ABSORPTION SPECTRUM OF FREE CH₃ AND CD₃ RADICALS

1956 • 233 citations

An experimental determination of the geometry and electron affinity of methyl radical

1978 • 224 citations

The 3500 transition of formaldehyde-h2, d2, and hd

1969 • 179 citations

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

1966 • 141 citations

Infrared matrix isolation spectrum of the methyl radical produced by pyrolysis of methyl iodide and dimethyl mercury

1970 • 134 citations

Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 7.—The methyl radical

1976 • 133 citations

Infrared and Ultraviolet Spectra of the Products of the Vacuum-Ultraviolet Photolysis of Silane Isolated in an Argon Matrix

1970 • 127 citations

Study of the electronic structure of molecules. X

1969 • 123 citations

Electron spin resonance of organosilyl radicals in solution

1969 • 108 citations

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

1968 • 107 citations

Infrared Spectrum of Gaseous Methyl Radical by Rapid Scan Spectroscopy

1972 • 97 citations

Low temperature photochemical studies on acetyl benzoyl peroxide. Observation of methyl and phenyl radicals by matrix isolation infrared spectroscopy

1975 • 72 citations

Silyl radicals. II. Stereochemical course of the reaction of an optically active hydrosilane with carbon tetrachloride by a free-radical mechanism. Retention of configuration

1969 • 72 citations

Orbital Following in the Methyl Radical

1964 • 72 citations

Rotational Analysis of Some Bands of the Triplet←Singlet Transition in Formaldehyde

1966 • 70 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

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

1979 • 55 citations

Barrier to pyramidal inversion in the tert-butyl radical by electron spin resonance

1976 • 46 citations

Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactions

1975 • 46 citations

Optical stability of asymmetric silyl radicals

1969 • 46 citations

Theory of the Hyperfine Splittings of Pi-Electron Free Radicals. III. Methyl Radical in a Pyramidal Configuration: Temperature Dependence of the Hyperfine Splittings

1970 • 46 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

Theory of the Temperature Dependences of the Hyperfine Interactions in the Methyl Radical

1967 • 32 citations

A method for determining the conformational preference of nonrigid radicals by electron paramagnetic resonance

1976 • 31 citations

Inhibition of the reduction of oxygen at a platinum electrode by the deposition of a monolayer of copper at underpotential

1969 • 31 citations

Nonempirical Calculations of the Isotropic Hyperfine Splitting Constants of 13C, 14N, and 17O in Simple Radicals

1967 • 30 citations

7-Norbornenyl radical. Chemical and electron spin resonance studies

1973 • 30 citations

Vibrational effects on electron resonance spectra

1966 • 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

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

2009 • 27 citations

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

1968 • 23 citations

Structure of the tert-butyl radical

1977 • 20 citations

Aliphatic semidiones. VIII. Hyperfine splitting by oxygen and carbon atoms in semidiones

1968 • 20 citations

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

1979 • 18 citations

General Second-Order Perturbation Treatment of σ Spin Densities in Planar, Conjugated π Radicals

1967 • 17 citations

Ab initio UHF calculations. Part 4.—The radical ion NH+3

1970 • 17 citations

Zur Temperaturabhängigkeit der Protonenhyperfeinaufspaltung im Methylradikal

1968 • 17 citations

13C Hyperfine Constant of ĊH2O−

1972 • 13 citations

Calculation of hyperfine coupling constants using second order double perturbation theory and the configuration interaction method

1979 • 13 citations

Spin-restricted SCF-CI[configuration interaction] theory and calculations of contact hyperfine splittings

1971 • 12 citations

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

1978 • 12 citations

Orbital following and hyperfine interactions in CH₃

1971 • 10 citations

Proper functional representation of symmetric double minimum potentials

1978 • 8 citations