Density functional theory study of the reaction mechanism and energetics of the reduction of hydrogen peroxide by ebselen, ebselen diselenide, and ebselen selenol

Journal of Physical Chemistry A

Volumn 111, Issue 16, 2007, Pages 3152-3160

  Pearson, Jason K ^a   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EBSELEN DISELENIDE; EBSELEN SELENOL; ELECTRONIC CHARGE; OXYGEN ATOMS; SULFUR ANALOGUES;

DENSITY FUNCTIONAL THEORY; NEGATIVE IONS; OXIDATION; QUANTUM THEORY; REACTION KINETICS; THERMOCHEMISTRY;

HYDROGEN PEROXIDE;

2 SELENYLBENZANILIDE; 2-SELENYLBENZANILIDE; ANILIDE; BENZAMIDE DERIVATIVE; BIS(2 (N PHENYLCARBOXAMIDO)PHENYL)DISELENIDE; BIS(2-(N-PHENYLCARBOXAMIDO)PHENYL)DISELENIDE; EBSELEN; HYDROGEN PEROXIDE; ORGANOSELENIUM DERIVATIVE; PYRROLE DERIVATIVE; SULFUR; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; OXIDATION REDUCTION REACTION; THERMODYNAMICS;

ALGORITHMS; ANILIDES; AZOLES; BENZAMIDES; HYDROGEN PEROXIDE; MODELS, CHEMICAL; ORGANOSELENIUM COMPOUNDS; OXIDATION-REDUCTION; SULFUR; THERMODYNAMICS;

EID: 34248327546     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp071499n     Document Type: Article

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