Quantum chemical calculations of formyl radicals

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

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

The anharmonic force field and equilibrium structure of HCN and HCP

1973 • 180 citations

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

1969 • 146 citations

Matrix-Isolation Study of the Reaction of F Atoms with CO. Infrared and Ultraviolet Spectra of the Free Radical FCO

1965 • 118 citations

The general harmonic force field of formaldehyde

1973 • 115 citations

Approximate Self-Consistent Molecular-Orbital Theory. VI. INDO Calculated Equilibrium Geometries

1968 • 114 citations

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

1966 • 101 citations

Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of formaldehyde

1974 • 91 citations

Infrared spectra of carbonyl fluorides and general harmonic force field

1975 • 84 citations

Microwave spectrum of the HCO radical

1974 • 70 citations

Unrestricted Hartree—Fock calculation of force constants and vibrational frequencies of the HCO radical

1974 • 66 citations

Calculation of Fermi Contact Hyperfine Splitting for Small Atoms and Molecules

1969 • 66 citations

Laboratory Observations of the 1_{01}<-0_{00} Transitions for the HCO and DCO Free Radicals by Microwave Spectroscopy

1972 • 56 citations

Calculation of Hyperfine Coupling Constants in Inorganic Radicals

1972 • 47 citations

Potential functions and the bonding in the XCO free radicals

1968 • 41 citations

Microwave Spectrum of the HCO Free Radical

1971 • 38 citations

Electron Spin Resonance Spectrum of FCO

1965 • 38 citations

Calculations of the isotropic hyperfine coupling constants in free radicals

1973 • 31 citations

Die Kraftkonstanten der Moleküle FCN, ClCN, BrCN und ICN

1970 • 18 citations

Microwave spectroscopy of non-linear free radicals II. Zeeman effect studies of DCO

1973 • 15 citations

An ab initio study of the electronic structure and isotropic hyperfine coupling constants of HCO, FCO, and HBF using different gaussian basis sets

2009 • 8 citations

The structure of the triatomic free radicals HCO, HCN—, and FCO

1970 • 7 citations