Vibrational spectra and structure of the cis and trans conformers of methyl nitrite: an ab initio MO study
The vibrational and conformational properties exhibited by nethyl nitrite (CH3ONO) were studied by ab initio MO methods (HF-SCF and MP2) using both the 6-31G and 6-311G basis sets without or with the inclusion of diffuse and/or polarization functions. Fully optimized geometries, relative stabilitie...
| Autor principal: | |
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| Outros Autores: | , , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
1996
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| Texto completo: | http://hdl.handle.net/10316/17648 |
| País: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/17648 |