The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ • • ion (1). The heat of formation of 1 Is e
Ab initio study of (CO2)n−: structures and stabilities of isomers
✍ Scribed by Morihisa Saeki; Tatsuya Tsukuda; Takashi Nagata
- Book ID
- 108312308
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 231 KB
- Volume
- 340
- Category
- Article
- ISSN
- 0009-2614
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