Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization

Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization

Cis/trans isomerization of amide bonds is a key step in a wide range of biological and synthetic processes. Occurring through C-N amide bond rotation, it also coincides with the activation of amides in enzymatic hydrolysis. In recently described QM studies of cis/trans isomerization in secondary ami...

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Bibliographic Details
Main Authors: Balmukund S. Thakkar, John Sigurd M. Svendsen, Richard A. Engh
Format: Article
Language:English
Published: MDPI AG 2018-09-01
Series:Molecules
Subjects:
density functional theory
cis/trans isomerization
secondary amides
dipeptides
steric effects
tert-butyl
additivity principle
Online Access:http://www.mdpi.com/1420-3049/23/10/2455

Internet

http://www.mdpi.com/1420-3049/23/10/2455

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