A theoretical study for oxidative metabolism of salicylates

Journal of Computational and Theoretical Nanoscience

Volumn 6, Issue 5, 2009, Pages 1140-1142

  Freire, Ana D T ^a   Landivar, Lucimara M C ^a   Queiroz, Auriekson N ^a   Borges, Rosivaldo S ^a  

^a FEDERAL UNIVERSITY OF PARÁ   (Brazil)

Author keywords

DFT; Metabolism; Molecular Modeling; Salicylic Acid; Spin Density

Indexed keywords

BASIS SETS; BENZOIC ACID; CARBON ATOMS; CARBONYL GROUPS; CYTOCHROME P450; DFT; DIHYDROXYBENZOIC ACIDS; ENERGY; HYDROXYL GROUPS; LIPID PEROXIDATION; OXIDATIVE METABOLISM; PHENOLIC OXYGEN; QUANTUM CHEMISTRY CALCULATIONS; SALICYLIC ACID; SALICYLIC ACIDS; SPIN DENSITIES; SPIN DENSITY; SPIN-DENSITY DISTRIBUTION; THEORETICAL STUDY; UNPAIRED ELECTRONS;

ATOMS; BIOCHEMISTRY; CHEMICAL REACTIONS; IONIZATION POTENTIAL; METABOLISM; MOLECULAR MODELING; OXYGEN; PHENOLS; PROBABILITY DENSITY FUNCTION; SPIN DYNAMICS;

ACIDS;

EID: 67449161006     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2009.1157     Document Type: Article

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