𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum mechanical ab initio studies of the structures and stabilities of halogen azides XN3 (X = F, Cl, Br, I)

✍ Scribed by Otto, M.; Lotz, S. D.; Frenking, G.


Book ID
127326161
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
974 KB
Volume
31
Category
Article
ISSN
0020-1669

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio quantum mechanical vibrational
✍ Beate Katrin Ystenes; Martin Ystenes; Gudrun Scholz πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 513 KB

Bond lengths and vibrational frequencies are calculated for the title compounds at the SCF level using various basis sets. For AIF 3, A1CI3, AIBr 3 and GaCI 3 also MP2 calculations are included. For some of these molecules, in particular for their out-of-plane vibrations, it appears that the calcula