Ab initio caIculatio~~ on the structure and geometry of the three isomers of NzH2 (Parzsdiimide, cifdiimide, and 1,ldihydrodiazine) were performed both on HT: and CI level using px..sLn basis sets with polarization functiotx The nuns uld cis isomers have singlet ground states; the tram isomer is fo
β¦ LIBER β¦
Ab initio study of electronic structure of strained
β Scribed by Liqing Wu; Meichun Huang; Shuping Li; Zizhong Zhu
- Book ID
- 106259958
- Publisher
- Springer
- Year
- 1999
- Tongue
- English
- Weight
- 118 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1434-6036
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