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An ab initio SCF study of conformational isomerism in HNO2

โœ Scribed by Steen Skaarup; James E. Boggs

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
623 KB
Volume
30
Category
Article
ISSN
0022-2860

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Stable and less stable conformers of fluorobutadienes: an ab initio SCF-MO study
โœ P.J.A. Ribeiro-Claro ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 601 KB

Ab initio SCF-MO calculations at the 3-21G P level with full geometry optimization were performed for cis-1, trans-l-and 2 fluoro-I ,3-butadiene. The critical points for the rotation around the central C-C bond arc located and discussed. Trans-l-fluorobutadiene has a stable gauche form ( f?= 40.0" )