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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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
1993
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| Texto completo: | http://hdl.handle.net/10316/18089 |
| País: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/18089 |