Comparison of ab initio, CNDO/2 and experimental dipole moment derivatives for C2 hydrocarbons and formaldehyde

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Vibrational Intensities. II. The Use of Isotopes

1952 • 298 citations

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

1973 • 234 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

The Potential Function of Ethylene

1953 • 146 citations

Band contour analysis of the ν1 and ν5 fundamentals of formaldehyde

1971 • 142 citations

Vibrational Intensities. VI. Ethylene and Its Deuteroisotopes

1956 • 125 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

Calculation of Infrared Intensities by the CNDO Method

1967 • 121 citations

Comparison of theab initioforce constants of ethane, ethylene and acetylene

1974 • 119 citations

The general harmonic force field of formaldehyde

1973 • 115 citations

Coriolis Perturbations in the Infrared Spectrum of Ethylene

1964 • 113 citations

Coriolis interactions in the ν4 and ν6 bands of formaldehyde

1971 • 93 citations

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

1974 • 91 citations

Force Constants and Dipole Moment Derivatives of Ammonia from Hartree-Fock Calculations

1972 • 77 citations

Infrared absorption intensities of ethane and propane

1973 • 74 citations

Vibrational Intensities. VII. Ethane and Ethane-d6

1957 • 72 citations

Infrared Intensities and Bond Moments in Formaldehyde

1955 • 64 citations

Bond Moments, their Reliability and Additivity: Sulfur Dioxide and Acetylene

1955 • 40 citations

CNDO Calculation of Dipole Moment Derivatives and Infrared Intensities of C6H6 and C6F6

1972 • 34 citations

CNDO calculation of dipole moment derivatives and infrared intensities of formaldehyde

1973 • 28 citations

Origin and role of rehybridization moments in determining infra-red intensities

1971 • 27 citations

On the Inhibition of the NO–NO2O5 Reaction by NO2

1955 • 27 citations

Analysis of infrared intensities in formaldehyde

1973 • 7 citations