Ab initio SCF calculations of 3P Mg and Be atom activation of methane
β Scribed by M.A. Lefcourt; C.L. Merritt; M.R. Peterson; I.G. Csizmadia
- Book ID
- 119117248
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 579 KB
- Volume
- 181
- Category
- Article
- ISSN
- 0166-1280
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Ab initio SCF MO and CI calculations on acetylene in linear and bent conformations are reported. It is found that acetylene possesses stable truns-and c&-isomers for most of its low-lying electronicatly excited states.. The calculated transition energies are discussed in relation to the observed opt