Brittain, DavidPandey, RinkuKumari, KirtiSharma, PoojaPandey, GunjanLal, RupCoote, MichelleOakeshott, John GrahamJackson, Colin2015-12-101359-7345http://hdl.handle.net/1885/61035Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between SN2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.Keywords: enzyme; hexachlorocyclohexane; article; binding competition; dechlorination; degradation kinetics; enzyme specificity; gas; isomer; quantum chemistry; reaction analysis; solution and solubility; Bacterial Proteins; Gases; Insecticides; Isomerism; KineticsCompeting S N 2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes201110.1039/C0CC02925D2016-02-24