QM/MM kinetic isotope effects for chloromethane hydrolysis in water
Author:
Affiliation:
1. Department of Chemistry; University of Bath; Bath UK BA2 7AY
2. Departament de Química Física i Analítica; Universitat Jaume I; 12071 Castelló Spain
Funder
Engineering and Physical Sciences Research Council
Publisher
Wiley
Subject
Organic Chemistry,Physical and Theoretical Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/poc.3144/fullpdf
Reference41 articles.
1. G. D. Ruggiero I. H. Williams Abstr. 8th Kyushu Intl. Symp. Phys. Org. Chem 1999
2. Transition-state structural refinement with GRACE and CHARMM: Flexible QM/MM modelling for lactate dehydrogenase
3. Studies in Solvolysis. Part VII. The Neutral Hydrolysis of Methyl Perchlorate
4. Ensemble-Averaged QM/MM Kinetic Isotope Effects for the SN2 Reaction of Cyanide Anions with Chloroethane in DMSO Solution
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2. Solvent Effects on Isotope Effects: Methyl Cation as a Model System;The Journal of Physical Chemistry B;2014-07-17
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