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The electronic structure of the CH2CCH radical - an AB initio SCF-MO study

✍ Scribed by Alan Hinchliffe


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
245 KB
Volume
37
Category
Article
ISSN
0022-2860

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An ab-initio LCAO MO SCF study of the el
✍ Colin Thomson πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 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.