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Ab initio calculations of molecular and electronic structure of disilane. I. Molecular force field and vibrational spectrum

✍ Scribed by Antonio Márquez; Javier Fernández Sanz; Michel Gelizé; Alain Dargelos


Book ID
107942675
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
820 KB
Volume
149
Category
Article
ISSN
0301-0104

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Molecular structure and vibrational spec
✍ Jerzy Leszczynski; Michael C. Zerner 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 419 KB

The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th