Reaction Rate Theory in Coordination Number Space: An Application to Ion Solvation
Author:
Affiliation:
1. Physical Science Division, Pacific Northwest National Laboratory, 902 Battelle Blvd., Richland, Washington 99352, United States
Funder
Basic Energy Sciences
Laboratory Directed Research and Development
Office of Science
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b00443
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4. Ion transfer across liquid∣liquid interfaces from transition-state theory and stochastic molecular dynamics simulations
5. A theoretical model for SN1 ionic dissociation in solution. 2. Nonequilibrium solvation reaction path and reaction rate
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