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+ โข โข ion (1). The heat of formation of 1 Is e
โฆ LIBER โฆ
Molecular Structures and Thermodynamic Stabilities of Cycloalkadienes and Their Methoxy Derivatives: An Ab Initio and DFT Study
โ Scribed by Esko Taskinen
- Book ID
- 110273405
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 107 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1040-0400
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