Ab initio calculations on ethanol and 2-substituted fluorine and chlorine containing mono-, di- and tri-haloethanols, with reference to conformer interconversions at low temperatures
- 1 March 1984
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 108 (1-2) , 99-112
- https://doi.org/10.1016/0166-1280(84)80105-0
Abstract
No abstract availableThis publication has 20 references indexed in Scilit:
- Matrix infrared study of the specific interactions between methanol and nitrogen, and methanol and carbon monoxideSpectrochimica Acta Part A: Molecular Spectroscopy, 1983
- IR-induced photorotamerization of allyl alcohol in low-temperature matrices and ab initio calculationsThe Journal of Chemical Physics, 1983
- IR and UV induced photorotamerization of 2-nitroethanol in matrices. Ab initio optimization of conformers and potential energy calculationsThe Journal of Chemical Physics, 1983
- Effect of the internal rotation of the OH group on the OH stretching vibrational Raman profile of ethanol in the gas phaseThe Journal of Chemical Physics, 1983
- Ab initio calculations on 2-fluoroethanol and 2-chloroethanol with reference to the infrared photorotamerization processes in low-temperature matricesJournal of Molecular Structure, 1983
- IR-induced photorotamerization of 2-aminoethanol in low-temperature matrices. AB initio optimized geometries of conformersJournal of Molecular Structure, 1983
- Ab initio studies of structural features not easily amenable to experimentJournal of Molecular Structure: THEOCHEM, 1982
- Raman Spectrometric Investigation of the Molecular Structure of Alcohols; Conformational Dynamics of EthanolBerichte der Bunsengesellschaft für physikalische Chemie, 1981
- Microwave rotational spectrum and internal rotation in g a u c h e ethyl alcoholThe Journal of Chemical Physics, 1980
- Infra-red cryogenic studies. Part 5.—Ethanol and ethanol-d argon matricesTransactions of the Faraday Society, 1970