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Electronic structure and inversion barrier of phosphine. An ab initio SCF?LCAO?MO study

โœ Scribed by Lehn, J. M.; Munsch, B.


Book ID
120306049
Publisher
Royal Society of Chemistry
Year
1969
Weight
329 KB
Volume
0
Category
Article
ISSN
0577-6171

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An ab-initio LCAO MO SCF study of the el
โœ Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 314 KB

Ab-initio calculations using three large gaussian basis sets arc reported for the unstable molecule SF2. The cffcct on tbc energy and computed geometry of polarhation functions and their expcrnents is examined, and a variety of one4cciron propertics computed.