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Structure and vibrational properties of alkali phosphate glasses from ab initio molecular orbital calculations

✍ Scribed by Takashi Uchino; Toshinobu Yoko


Book ID
117150168
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
462 KB
Volume
263-264
Category
Article
ISSN
0022-3093

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Molecular structure and vibrational spec
✍ Jerzy Leszczynski; Michael C. Zerner πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 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