The emprical general harmonic force field of ethane
- 1 March 1983
- journal article
- Published by Elsevier in Journal of Molecular Spectroscopy
- Vol. 98 (1) , 87-110
- https://doi.org/10.1016/0022-2852(83)90205-9
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Resolution of the effects of a major fermi resonance in the ν1 CH stretching fundamentals of CH3 CD3 and C2H6Chemical Physics Letters, 1982
- Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and a b i n i t i o quantum chemical informationThe Journal of Chemical Physics, 1981
- Infrared spectroscopic studies of partially deuterated ethanes and the r0, rz, and re structuresJournal of Molecular Spectroscopy, 1979
- Application of self-consistent-fieldab initiocalculations to organic moleculesMolecular Physics, 1976
- Representations of molecular force fields. I. Ethane: A b i n i t i o and model, harmonic and anharmonicThe Journal of Chemical Physics, 1975
- Comparison of theab initioforce constants of ethane, ethylene and acetyleneMolecular Physics, 1974
- Anharmonicity of CH3 deformation vibrations and Fermi resonance between the symmetrical CH3 stretching mode and overtones of CH3 deformation vibrationsSpectrochimica Acta Part A: Molecular Spectroscopy, 1972
- Microwave Spectrum of EthaneThe Journal of Chemical Physics, 1971
- The calculation of force constants and normal coordinates—V constrained force fields for a series of methyl and dimethyl compounds of 3-fold symmetrySpectrochimica Acta, 1964
- THE RAMAN SPECTRUM OF ETHANE-d6Canadian Journal of Physics, 1962