Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y- + CH3X → CH3Y + X- (X,Y = F,Cl,Br). Validation of Hybrid DFT Methods
Author:
Affiliation:
1. Department of Organic Chemistry, Kimmelman Building, Room 262, Weizmann Institute of Science, IL-76100 Rechovot, Israel
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0031000
Reference107 articles.
1. Simulations of Gas-Phase Chemical Reactions: Applications to S N 2 Nucleophilic Substitution
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