title: On the role of alkylcobalamins in the vitamin B12-catalyzed reductive dehalogenation of perchloroethylene and trichloroethylene.
abstract: Theoretical studies are presented on the structures and reactivity of chlorinated ethylcobalamins, potential intermediates in the vitamin B12-catalyzed reductive dehalogenation of the environmental pollutants perchloroethylene and trichloroethylene; the results suggest an alternative mechanism of catalysis.
authors.affiliation: Department of Chemistry, Queen's University, 90 Bader Crescent, Kingston, Ontario, Canada K7L 3N6. pratt@chem.queensu.ca
authors.forename: Derek A
authors.initials: DA
authors.lastname: Pratt
authors.forename: Wilfred A
authors.initials: WA
authors.lastname: van der Donk