QTAIM Analysis of the HF, HCl, HBr, and HOH Elimination Reactions of Halohydrocarbons and Halohydroalcohols
Author:
Affiliation:
1. Department of Chemistry, University of North Carolina–Asheville, One University Heights, CPO #2010, Asheville, North Carolina 28801, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp2053458
Reference17 articles.
1. 1,2-FCl Rearrangement as an Intermediate Step in the Unimolecular 1,3-HCl Elimination from Chlorofluoropropanes
2. Theoretical calculations of product percentage yields for the thermal decomposition of 2-chloro-1,1-difluoroethane
3. Unimolecular Reactions of Vibrationally Excited CF2ClCHFCH3 and CF2ClCHFCD3: Evidence for the 1,2-FCl Interchange Pathway
4. Unimolecular Reactions of Chemically Activated CF2BrCF2CH3 and CF2BrCF2CD3: Evidence for 1,2-FBr Interchange
5. Characterization of the Unimolecular Water Elimination Reaction from 1-Propanol, 3,3,3-Propan-1-ol-d3, 3,3,3-Trifluoropropan-1-ol, and 3-Chloropropan-1-ol
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