Ab initio and DFT conformational study of proline dipeptide

Journal of Molecular Structure: THEOCHEM

Volumn 675, Issue 1-3, 2004, Pages 37-45

  Kang, Young Kee ^a  

^a Chungbuk National University   (South Korea)

Author keywords

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

Indexed keywords

AMIDE; CHLOROFORM; PEPTIDE DERIVATIVE; PROLINE DERIVATIVE; SOLVENT; WATER;

AB INITIO CALCULATION; ARTICLE; ATOM; CHEMICAL BOND; CHEMICAL MODEL; CONDUCTOR; DENSITY FUNCTIONAL THEORY; ENERGY; GAS; HYDROGEN BOND; ISOMERIZATION; POLARIZATION; PROTEIN CONFORMATION; ROTATION;

EID: 2342517473     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.12.031     Document Type: Article

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