Investigation of intermolecular hydrogen bond interactions in crystalline l-Cysteine by DFT calculations of the oxygen-17, nitrogen-14, and hydrogen-2 EFG tensors and AIM analysis

Biophysical Chemistry

Volumn 141, Issue 1, 2009, Pages 49-58

  Nozad, Ahmad G ^a   Meftah, Sakineh ^b   Ghasemi, Mohammad H ^b   Kiyani, Roya A ^b   Aghazadeh, Mustafa ^b,c  

^a NUCLEAR SCIENCE AND TECHNOLOGY RESEARCH INSTITUTE   (Iran)

^b AVICENNA RESEARCH INSTITUTE   (Iran)

^c TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

AIM analysis; Asymmetry parameter; Density functional theory; Electric field gradient tensor; Hydrogen bond interactions; L Cysteine

Indexed keywords

CYSTEINE; DEUTERIUM; MONOMER; NITROGEN DERIVATIVE; OXYGEN 17;

ARTICLE; CLUSTER ANALYSIS; COMPUTER ANALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD; HYDROGEN BOND; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; TEMPERATURE SENSITIVITY;

CRYSTALLOGRAPHY, X-RAY; CYSTEINE; HYDROGEN; HYDROGEN BONDING; NEUTRON DIFFRACTION; NITROGEN; OXYGEN; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; TEMPERATURE;

EID: 60249088270     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bpc.2008.12.013     Document Type: Article

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