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Journal of Molecular Structure: THEOCHEM

Volumn 593, Issue 1-3, 2002, Pages 55-64

Comparative conformational study of N-acetyl-N′-methylprolineamide with different basis sets

(2) Kang, Young Kee a Park, Hae Sook b

a Chungbuk National University (South Korea)

b Cheju Halla University (South Korea)

Author keywords

Ab initio and B3LYP calculations; Ac Pro NHMe; Cis trans isomerization; Solvation; Structure

Indexed keywords

AMIDE; CHLOROFORM; N ACETYL N' METHYLPROLINAMIDE; PROLINE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

AB INITIO CALCULATION; ARTICLE; ATOM; CIS ISOMER; CONFORMATION; DENSITY; DIPOLE; ELECTRONICS; ENERGY; ENTHALPY; ROTATION; SOLVATION; STRUCTURE ANALYSIS; THEORY; TRANS ISOMER;

EID: 0037183843 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00077-5 Document Type: Article

Times cited : (20)

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