Density functional theory study of N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine

Biophysical Chemistry

Volumn 133, Issue 1-3, 2008, Pages 11-18

  Esrafili, Mehdi D ^a   Behzadi, Hadi ^a   Hadipour, Nasser L ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Electric field gradient; Euler angles; Hydrogen bond; N acetyl valine; Quadrupole coupling constant

Indexed keywords

AMINO ACID DERIVATIVE; N ACETYLVALINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

CARBON RADIOISOTOPES; DEUTERIUM; HYDROGEN BONDING; MODELS, MOLECULAR; VALINE;

EID: 38749083071     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bpc.2007.11.006     Document Type: Article

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