A new class of reaction path based potential energy surfaces enabling accurate black box chemical rate constant calculations
Author:
Affiliation:
1. Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstraße 40, D–24098 Kiel, Germany
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5092589
Reference78 articles.
1. “Direct” and “Correct” Calculation of Canonical and Microcanonical Rate Constants for Chemical Reactions
2. Computational methods of quantum reaction dynamics
3. Accurate calculations of reaction rates: predictive theory based on a rigorous quantum transition state concept
4. Modeling the Kinetics of Bimolecular Reactions
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