Molecular orbital calculations to describe microbial reductive dechlorination of polychlorinated dioxins

Environmental Toxicology and Chemistry

Volumn 17, Issue 6, 1998, Pages 988-997

  Lynam, Mary M ^a   Kuty, Michal ^b   Damborsky, Jiri ^b   Koca, Jaroslav ^b   Adriaens, Peter ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b MASARYK UNIVERSITY   (Czech Republic)

Author keywords

Ab initio; Chlorinated dioxins; Molecular descriptors; Reductive dechlorination; Semiempirical calculations

Indexed keywords

DIOXIN; FREE RADICAL;

ARTICLE; ATOMIC PARTICLE; BIOENERGY; DECHLORINATION; ELECTRICITY; ELECTROMAGNETIC FIELD; EMPIRICISM; MATHEMATICAL ANALYSIS; MOLECULAR MODEL; NUCLEAR PHYSICS; PHOTOCHEMISTRY; PHOTOLYSIS; PRIORITY JOURNAL; THERMODYNAMICS;

EID: 0031750344     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1897/1551-5028(1998)017<0988:MOCTDM>2.3.CO;2     Document Type: Article

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