Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: A computational study

Journal of Physical Chemistry A

Volumn 116, Issue 10, 2012, Pages 2536-2546

  Mandal, Debasish ^a   Mondal, Bhaskar ^a   Das, Abhijit K ^a  

^a DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MP2; AIM ANALYSIS; ATOMS IN MOLECULES; COMPUTATIONAL STUDIES; CONDUCTOR LIKE SCREENING MODELS; DEGRADATION PATHWAYS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT-B3LYP; ELECTRONIC STRUCTURE CALCULATIONS; FENITROTHION; HYDROPEROXIDES; INTERMOLECULAR HYDROGEN BONDING; INTERMOLECULAR HYDROGEN BONDS; NATURAL BOND ORBITAL; NUCLEOPHILIC ATTACK; NUCLEOPHILICITIES; ORGANOPHOSPHORUS INSECTICIDES; P-CENTER; PHOSPHOROTHIOATES; POLARIZATION CONTINUUM MODELS; REACTION ENERGETICS; RELATIVE ORDER; RELATIVE PERFORMANCE; TOPOLOGICAL PROPERTIES; TRANSITION STATE;

CALCULATIONS; COMPUTATIONAL CHEMISTRY; CONTINUUM MECHANICS; DIAGNOSIS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROGEN BONDS; INSECTICIDES; POLARIZATION; TOPOLOGY;

NUCLEOPHILES;

FENITROTHION; INSECTICIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

FENITROTHION; INSECTICIDES; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 84858315742     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2100057     Document Type: Article

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