Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: Sulfamerazine and sulfathiazole

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 3, 2008, Pages 326-331

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

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Atoms in Molecules (AIM) analysis; Electric field gradient tensor; Nuclear quadrupole coupling constant; Sulfamerazine; Sulfathiazole

Indexed keywords

PROBABILITY DENSITY FUNCTION;

ATOMS IN MOLECULES (AIM) ANALYSIS; ELECTRIC FIELD GRADIENT TENSOR; NUCLEAR QUADRUPOLE COUPLING CONSTANT; SULFAMERAZINE; SULFATHIAZOLE;

DENSITY FUNCTIONAL THEORY;

HYDROGEN; NITROGEN; SULFAMERAZINE; SULFANILAMIDE DERIVATIVE; SULFATHIAZOLE; TETRAMER;

ANALYTIC METHOD; ARTICLE; ATOM; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR MECHANICS; N 14 NUCLEAR QUADRUPOLE RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; SPECTROSCOPY; CHEMISTRY; ELECTRICITY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STATIC ELECTRICITY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; ELECTRICITY; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; NITROGEN; STATIC ELECTRICITY; SULFAMERAZINE; SULFATHIAZOLES;

EID: 53549092121     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.05.007     Document Type: Article

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