A computational NQR study on the hydrogen-bonded lattice of cytosine-5-acetic acid

Journal of Computational Chemistry

Volumn 29, Issue 5, 2008, Pages 832-838

  Mirzaei, Mahmoud ^a   Hadipour, Nasser L ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Cytosine 5 acetic acid; DFT; Hydrogen; Hydrogen bond; Nitrogen; NQR; Oxygen

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD EFFECTS; HYDROGEN BONDS; MOLECULAR DYNAMICS; OPTIMIZATION;

NUCLEAR QUADRUPOLE RESONANCE (NQR);

ACETIC ACID;

ACETIC ACID; CYTOSINE; DEUTERIUM; NITROGEN; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; HYDROGEN BOND; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

ACETIC ACID; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYTOSINE; DEUTERIUM; ELECTROSTATICS; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROGEN; OXYGEN ISOTOPES;

EID: 40549138747     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20845     Document Type: Article

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