ONIOM Study of Chemical Reactions in Microsolvation Clusters: (H2O)nCH3Cl + OH-(H2O)m (n + m = 1 and 2)
Author:
Affiliation:
1. Department of Chemistry, Faculty of Science, Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan, and Cherry Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp004623a
Reference33 articles.
1. Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane
2. Reaction Paths for Aqueous Decomposition of CCl2
3. Searching for the ylide structure. An ab initio study of the H2O…CCl2 complex
4. Solvation Effects on Kinetics of Methylene Chloride Reactions in Sub- and Supercritical Water: Theory, Experiment, and Ab Initio Calculations
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