A transferable force field for a series of molecules containing CC groups
- 1 May 1986
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 144 (3-4) , 287-299
- https://doi.org/10.1016/0022-2860(86)85007-4
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Raman spectra and vibrational dephasing of methylacetyleneJournal of Raman Spectroscopy, 1983
- Interpretation of infrared intensities of acetylene, propyne, and 2-butyne. A common set of electrooptical parametersThe Journal of Physical Chemistry, 1981
- The vibrational spectrum of propyne-3d1Spectrochimica Acta Part A: Molecular Spectroscopy, 1980
- The i.r., Raman and microwave spectra of 1-butene-3-yne (vinylacetylene) and 1-butene-3-yne-4dSpectrochimica Acta Part A: Molecular Spectroscopy, 1980
- Infrared absorption intensities of methyl acetyleneThe Journal of Chemical Physics, 1978
- Calculation of infrared group frequencies from molecular orbital theory—I: Out-of-plane CH2 and CH bending vibrations in substituted ethylenesSpectrochimica Acta Part A: Molecular Spectroscopy, 1971
- Structure of Vinylacetylene Determined by Electron Diffraction and SpectroscopyBulletin of the Chemical Society of Japan, 1969
- Infra-red spectra, vibrational assignments, and force constants of some monohalogeno diacetylenes, including force constants of some halogeno cyanoacetylenesSpectrochimica Acta Part A: Molecular Spectroscopy, 1967
- 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
- HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: VIII. ROTATIONAL SPECTRA OF ACETYLENE, DIACETYLENE, DIACETYLENE-d2, AND DIMETHYLACETYLENECanadian Journal of Physics, 1957