Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
Chem Commun (Camb). 2011 Jan 21;47(3):976-8. doi: 10.1039/c0cc02925d. Epub 2010 Nov 16.
Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between S(N)2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.
量子化学计算与实验动力学分析相结合,研究了六氯环己烷异构体脱氯过程中 S(N)2 和 E2 机制的竞争,结果表明酶的特异性反映了各种异构体的固有反应性。