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

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 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

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

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

1966 • 141 citations

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

1970 • 127 citations

Infrared Spectrum of Trideuterosilane and the Structure of the Silane Molecule

1955 • 115 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

Structure of the Methyl Radical and Other Radicals

1969 • 91 citations

Configuration of the tert-butyl radical

1978 • 74 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

Structure and stability of SiH+4

1978 • 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

An electron spin resonance study of some silyl radicals

1970 • 65 citations

Applications of the INDO method to some radicals containing second row elements

1971 • 55 citations

A b i n i t i o investigation of geometry changes during inversion of NH3, NH2F, NHF2, NF3 and PH3, PH2F, PHF2, PF3

1977 • 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

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

CI calculations for the inversion barrier of ammonia

1974 • 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

An INDO study of the hyperfine coupling constants and equilibrium geometries of some tetra-atomic radicals

1973 • 36 citations

Lower Electronic Levels of the Radicals SiH, SiH2, and SiH3

1966 • 34 citations

Unstable intermediates. Part LXXXI. Electron spin resonance spectra of γ-irradiated methyl silanes: methyl silyl radicals

1970 • 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

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

1973 • 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

Modellrechnungen an einigen Siliziumwasserstoffverbindungen vom Typ SiHn, SiH n + und SiH n ? nach der Einzentrenmethode

1970 • 23 citations

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

1968 • 23 citations

Structure of Methylchlorosilyl Radicals

1972 • 21 citations

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

1978 • 20 citations

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

1978 • 12 citations

Etude theorique de complexes derives du titane

1976 • 10 citations

Proper functional representation of symmetric double minimum potentials

1978 • 8 citations

Investigation of organosilicon radicals

1975 • 7 citations

A LONG-RANGE ISOTOPE EFFECT ON A HFSC OF THE BICYCLO[2.1.1]HEXAN-5-YL RADICAL

1977 • 4 citations