Stepwise Activation of Water by Open-Shell Interactions, Cl(H2O)n=4–8,17
Author:
Affiliation:
1. Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, United States
Funder
Basic Energy Sciences
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c01544
Reference155 articles.
1. Probing the Partial Activation of Water by Open-Shell Interactions, Cl(H2O)1–4
2. Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions
3. The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods
4. From Gas-Phase to Liquid-Water Chemical Reactions: The Fluorine Atom Plus Water Trimer System
5. F + (H2O)2 Reaction: The Second Water Removes the Barrier
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