Application of self-consistent-field ab initio calculations to organic molecules

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

PHYSICAL CHEMISTRY: An Advanced Treatise

1971 • 1,393 citations

Advances in Infrared and Raman Spectroscopy

1982 • 1,335 citations

Vibrational analysis of the n-paraffins—II

1963 • 1,128 citations

Tables of molecular vibrational frequencies

1978 • 732 citations

Advances in infrared group frequencies

1968 • 654 citations

Vibrational Spectra of Polyatomic Molecules

1974 • 525 citations

Infrared spectroscopy and molecular structure

1964 • 510 citations

A valence force field for saturated hydrocarbons

1965 • 457 citations

PHYSICAL CHEMISTRY: An Advanced Treatise

1970 • 392 citations

Microwave Spectrum, Structure, and Dipole Moment of Propane

1960 • 306 citations

The calculation of force constants and normal coordinates—IV XH4 and XH3 molecules

1964 • 300 citations

Infrared crystal spectra of C2H4, C2D4, and as-C2H2D2 and the general harmonic force field of ethylene

1973 • 234 citations

Molecular Structure of Propylene

1961 • 222 citations

Electron-Diffraction Study of the Structures of C2H4 and C2D4

1965 • 207 citations

Mean and Equilibrium Molecular Structures of Methane and Deuteromethane as Determined by Electron Diffraction

1961 • 197 citations

The calculation of force constants and normal coordinates—V constrained force fields for a series of methyl and dimethyl compounds of 3-fold symmetry

1964 • 194 citations

High resolution infrared spectra of C212H2, C12C13H2, and C213H2

1964 • 184 citations

The Potential Constants of Ethane

1952 • 183 citations

Infrared spectra of labelled compounds

1971 • 182 citations

Least-squares refinement of molecular structures from gaseous electron-diffraction sector-microphotometer data. III. Refinement of cyclopropane

1964 • 177 citations

Molecular Structure by Diffraction Methods

1974 • 170 citations

Electron Diffraction Study of the Structures of Ethane and Deuteroethane

1965 • 158 citations

Effect of Anharmonic Vibrations on the Bond Lengths of Polyatomic Molecules. II. Cubic Constants and Equilibrium Bond Lengths of Methane

1962 • 150 citations

Ab initio calculation of the force field of ethylene

1971 • 123 citations

Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

1972 • 123 citations

Force constants of methane. Infrared spectra and thermodynamic functions of isotopic methanes

1959 • 119 citations

Comparison of theab initioforce constants of ethane, ethylene and acetylene

1974 • 119 citations

Microwave Spectrum, Structure, and Dipole Moment of Cyclopropene

1959 • 110 citations

Ground state rotational constants of H2CCD2 and C2D4 and geometry of ethylene

1972 • 104 citations

Intensity Theory for Infrared Spectra of Polyatomic Molecules

1964 • 100 citations

Spectres de vibration et coordonnées normales de quatre espèces isotopiques de propène

1973 • 98 citations

Molecular Structure of Propane

1972 • 90 citations

Molecular structures of propene and 3,3,3-trifluoropropene determined by gas electron diffraction

1973 • 86 citations

The force field and normal coordinates of cyclopropane-H6 and -D6

1969 • 73 citations

CH bond lengths and strengths, unperturbed CH stretching frequencies, from partial deuteration infrared studies: t-Butyl compounds and propane

1974 • 61 citations

Theoretical study of the tetrahedrane molecule

1974 • 57 citations

Application of the hybrid orbital force field to a seriesof CH2X molecules

1968 • 55 citations

HIGH-RESOLUTION RAMAN SPECTROSCOPY OF GASES: XVIII. PURE ROTATIONAL SPECTRA OF CYCLOPROPANE AND CYCLOPROPANE-d₆

1964 • 55 citations

A Value and Structural Parameters of the Ethane Molecule

1965 • 53 citations

On isotopic substitution and the choice between alternative sets of force constants; with special reference to the cases of ethylene, ketene, diazomethane and formaldehyde

1971 • 43 citations

Molecular orbital studies of conformation

1974 • 39 citations

Force constant displays of unsymmetric molecular isotopes of H2O, H2S, H2Se, and HCCH

1968 • 38 citations

Quadratic potential constants for propane

1967 • 33 citations

Einige frequenzverschiebungen durch 13C-substitution in den IR-spektren von C2H4, C2D4 und C2H6; ihre verwen-dung zur kraft

1970 • 24 citations

The interplay between spectroscopy and electron diffraction

1973 • 22 citations

The Molecular Structure of Cyclopropene as Determined by Electron Diffraction

1970 • 9 citations

Harmonic Force Fields for Cyclopropene and Cyclopropane.

1969 • 7 citations