Theoretical investigations on direct photolysis mechanisms of polychlorinated diphenyl ethers

Chemosphere

Volumn 111, Issue , 2014, Pages 7-12

  Wang, Se ^a   Hao, Ce ^a   Gao, Zhanxian ^a   Chen, Jingwen ^a   Qiu, Jieshan ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

DFT; Photolysis mechanisms; Photoproducts; Polychlorinated diphenyl ethers

Indexed keywords

CHEMICAL BONDS; CHLORINATION; DENSITY FUNCTIONAL THEORY; ETHERS; PHOTODISSOCIATION; PHOTOLYSIS; QUANTUM CHEMISTRY; THERMODYNAMICS;

BOND DISSOCIATION ENERGIES; ENVIRONMENTAL CONCERNS; PERSISTENT ORGANIC POLLUTANT (POP); PHOTOPRODUCTS; POLYCHLORINATED DIPHENYL ETHERS; QUANTUM CHEMISTRY CALCULATIONS; REACTION THERMODYNAMICS; THEORETICAL INVESTIGATIONS;

ORGANIC POLLUTANTS;

CHLOROBENZENE; POLYCHLORINATED BIPHENYL DERIVATIVE;

DECHLORINATION; ETHER; ORGANIC POLLUTANT; PCDF; PHOTOLYSIS; THEORETICAL STUDY; THERMODYNAMICS;

ARTICLE; ATOM; CHEMICAL BOND; CHLORINATION; DECHLORINATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; PHOTOLYSIS; QUANTUM CHEMISTRY; REACTION ANALYSIS; THEORETICAL STUDY; THERMODYNAMICS;

DFT; PHOTOLYSIS MECHANISMS; PHOTOPRODUCTS; POLYCHLORINATED DIPHENYL ETHERS;

CARBON; CHLOROBENZENES; HALOGENATED DIPHENYL ETHERS; LIGHT; MODELS, THEORETICAL; OXYGEN; PHOTOLYSIS; THERMODYNAMICS;

EID: 84903637646     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2014.03.040     Document Type: Article

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