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 (CH3ONO) 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...

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Bibliographic Details
Main Author: Silva, João Bosco P. da (author)
Other Authors: Costa, Nivan B.da (author), Ramos, Mozart N. (author), Fausto, Rui (author)
Format: article
Language:eng
Published: 1996
Online Access:http://hdl.handle.net/10316/17648
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/17648

Internet

http://hdl.handle.net/10316/17648

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