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Theoretical studies on the singlet and triplet cyclopropylidene allene system

โœ Scribed by Pasto, Daniel J.; Haley, Michael; Chipman, Daniel M.

Book ID
126000318
Publisher
American Chemical Society
Year
1978
Tongue
English
Weight
767 KB
Volume
100
Category
Article
ISSN
0002-7863

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โœ Daniel J. Pasto ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 660 KB

Ab initio moleculur orbital calculations have been carried out on the various electronic states of2,3-(6), 2,4-(7), 2,s-(8), mid 3,4-diazacyclopentadienylidene (9) at the /idly geometry optimized 6-31 G?' level, with single point calculations being carried out at the MP216-31 G\* lever. The calculat