A multilayered representation, quantum mechanical and molecular mechanics study of the CH3F + OH−reaction in water
Author:
Affiliation:
1. College of Physics and Electronics, Shandong Normal University; Jinan 250014 China
2. Department of Physics; School of Science; Qilu University of Technology; Jinan 250353
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23498/fullpdf
Reference36 articles.
1. Recent advances in the energetics and mechanisms of gas-phase ionic reactions
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3. Stationary points for the OH− + CH3F → CH3OH + F− potential energy surface
4. A S N 2 Reaction That Avoids Its Deep Potential Energy Minimum
5. Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F (X=F, Cl, CN, OH, SH, NH2, PH2)
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