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Ab initio SCF structure investigation of β-hydroxypropionic acid and 3-aminopropionamide

✍ Scribed by Vincent K. W. Cheng; Michaela Flock; Michael Ramek

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
637 KB
Volume
57
Category
Article
ISSN
0020-7608

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✦ Synopsis

The potential energy surfaces of P-hydroxypropionic acid and 3-aminopropionamide have been investigated by means of R H F / ~-~~G calculations. Structures, reaction paths for internal rotations, and the respective energy barriers are reported. The influence of the various intramolecular interactions on structural and energetical properties is shown and compared to the results previously obtained for 0-alanine. 0 1996

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