Photodegradation of hexachlorobenzene and theoretical prediction of its degradation pathways using quantum chemical calculation

Chemosphere

Volumn 70, Issue 4, 2008, Pages 731-736

  Yamada, Shingo ^a   Naito, Yuta ^a   Takada, Makoto ^a   Nakai, Satoshi ^b   Hosomi, Masaaki ^a  

^a TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

Author keywords

Density functional theoretical method; Gaussian; Prediction of degradation pathways; Reductive dechlorination

Indexed keywords

ALCOHOLS; DENSITY FUNCTIONAL THEORY; PHOTODEGRADATION; QUANTUM CHEMISTRY;

DEGRADATION PATHWAYS; REDUCTIVE DECHLORINATION;

BENZENE;

2 PROPANOL; BENZENE; HEXACHLOROBENZENE; HEXANE; METHANOL;

ALCOHOLS; BENZENE; DENSITY FUNCTIONAL THEORY; PHOTODEGRADATION; QUANTUM CHEMISTRY;

DECHLORINATION; GAUSSIAN METHOD; HEXACHLOROBENZENE; PHOTODEGRADATION; PROBABILITY DENSITY FUNCTION;

ARTICLE; CHEMICAL BOND; DECHLORINATION; DISSOCIATION; GAS CHROMATOGRAPHY; MASS SPECTROMETRY; PHOTODEGRADATION; PREDICTION; QUANTUM CHEMISTRY;

EID: 36248963689     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2007.06.039     Document Type: Article

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