Ab initio molecular orbital study of the mechanism of photodissociation of formamide
β Scribed by Dan Liu; Wei-Hai Fang; Xiao-Yuan Fu
- Book ID
- 108311786
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 225 KB
- Volume
- 318
- Category
- Article
- ISSN
- 0009-2614
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## Abstract The molecular geometry of 1βfluorosilatrane was optimized fully by restricted HartreeβFock (HF) calculations using the 3β21G, 3β21G(__d__) and 6β31G(__d__) basis sets, with the aim of locating the positions of the local minima on the energy hypersurface. The optimized geometries were co
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