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Conformational analysis of allyl alcohol. An ab initio molecular orbital study

โœ Scribed by James Kao; Ted Katz

Book ID
119116206
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
706 KB
Volume
108
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES

Conformational analysis of allylamine. A
Conformational analysis of allylamine. An ab initio molecular orbital study
โœ James Kao; Jeffrey I. Seeman ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 575 KB

The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli

Ab initio molecular orbital studies of n
Ab initio molecular orbital studies of nonidentity allyl transfer reactions
โœ Ikchoon Lee; Chang Kon Kim; Bon-Su Lee ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 636 KB

## Abstract __Ab initio__ molecular orbital (__MO__) calculations are carried out on the nonidentity allyl transfer processes, X^โˆ’^ + CH~2~CHCH~2~Y โ‡Œ CH~2~CHCH~2~ X + Y^โˆ’^, with X^โˆ’^ = H, F, and Cl and Y = H, NH~2~, OH, F, PH~2~, SH, and Cl. The Marcus equation applies well to the allyl transfer re