Oxygen versus sulfur: Structure and reactivity of substituted arsine oxides and arsine sulfides

Journal of Computational Chemistry

Volumn 33, Issue 1, 2012, Pages 112-117

  Orthaber, Andreas ^a,b   Sax, Alexander F ^a   Francesconi, Kevin A ^a  

^a UNIVERSITY OF GRAZ   (Austria)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

ab initio calculations; arsenic; chalcogens; main group elements; reaction mechanisms

Indexed keywords

AB INITIO CALCULATIONS; ACETATE DERIVATIVES; AXIAL POSITIONS; CHALCOGENS; EXOTHERMICITY; FOURTH ORDER; HUMAN BODIES; INTERCONVERSIONS; MAIN GROUP ELEMENTS; ORGANOARSENICALS; PENTACOORDINATED; PERTURBATION THEORY; REACTION ENERGY; REACTION MECHANISM; SOLVATION MODELS; TOXIC AGENTS; TRANSITION STATE;

ARSENIC; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DETOXIFICATION; ETHANOL; HYDROGEN; HYDROGEN PEROXIDE; HYDROGEN SULFIDE; ISOMERS; PERTURBATION TECHNIQUES; REACTION INTERMEDIATES; SULFUR;

ARSENIC COMPOUNDS;

ORGANOARSENIC DERIVATIVE; OXIDE; SULFIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

ARSENICALS; MOLECULAR STRUCTURE; OXIDES; QUANTUM THEORY; SULFIDES;

EID: 80655149558     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21950     Document Type: Article

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