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Ab initio study of electronic structure of strained

✍ 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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πŸ“œ SIMILAR VOLUMES


An ab initio study of the electronic str
✍ R. Ahlrichs; V. Staemmler πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 521 KB

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

An AB initio study of the electronic str
✍ Nelson H.F. Beebe; John R. Sabin πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 492 KB

An ab initio LCGO MO SCF calculation using the Roothaan open-shell procedure was carried out on C202. The electronic structure and stability of the molecule is discussed.

Molecular and electronic structure of di
✍ Joachim Sauer; BronisΕ‚aw LΜ‡urawski πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 509 KB

The bond Zen#hs and angles obtained by means of a 4-31G basis agee aith electron diffraction ddtd\_ The calculated Si-0-Si bending potenti& shoning a minimum for the linear xrangement. is discussed \\ith regard to avadsble experimental information. Calcutated dipole moments and ionization potenti&