Conformers, Vibrational Spectra and Laser-induced Rotamerization

A6 initio molecular orbital (MO) calculations with a 6-31G* basis set have been carried out for CH,CICOOH. Structures and energies of relevant conformations have been determined by gradient geometry refinement and some conformationally dependent geometry trends discussed. The results agree with repo...

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Bibliographic Details
Main Author: Fausto, Rui (author)
Other Authors: Teixeira-Dias, José J. C. (author), Gil, Francisco P. S. C. (author)
Format: article
Language:eng
Published: 1993
Online Access:http://hdl.handle.net/10316/18089
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/18089

Internet

http://hdl.handle.net/10316/18089

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