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Study of the Molecular Geometry, Electronic Structure, and Thermal Stability of Phosphazene and Heterophosphazene Rings with ab Initio Molecular Orbital Calculations

✍ Scribed by Jaeger, R.; Debowski, M.; Manners, I.; Vancso, G. J.


Book ID
121243692
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
193 KB
Volume
38
Category
Article
ISSN
0020-1669

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πŸ“œ SIMILAR VOLUMES


Ab initio and indo molecular orbital cal
✍ Jan van Lierop; Ad van der Avoird; Binne Zwanenburg πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 French βš– 557 KB

Molecular orbital calculations are presented for the parent sulfine and some mono-and dihalogensubstituted sulfines, using ab initio and INDO methods. A partial geometry optimization was performed for nine different sulfines. Charge distributions, potential surfaces and dipole moments were calculate