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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 1, Number 1
BKCSDE 1(1)
January 20, 1980 

 
Title
The Importance of One-Eletron Effects in Conformation and Protonation of Acetamides
Author
Ikchoon Lee, Geoun Bae Rhyu
Keywords
Abstract
The CNDO/2 method was used to compute relative stabilities of various configurations and conformations of acetamide, N-methylacetamide and diacetamide and their protonated forms. It was found that: (a) nonbonded interactions play important roles in determining structural preferences of the compounds, (b)n-σ* "throughbond" interactions always favor cis-protonation (relative to C-N).
Page
17 - 22
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