Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?
Author:
Affiliation:
1. Dipartimento di Chimica, Università degli Studi di Milano, via C. Golgi 19, 20133 Milano, Italy
2. Chemical and Biological Physics Department, 76100 Rehovoth, Israel
Funder
Universit? degli Studi di Milano
Israel Science Foundation
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00917
Reference29 articles.
1. Wigner phase space method: Analysis for semiclassical applications
2. Quantum transition state theory: Perturbation expansion
3. Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems
4. The formulation of quantum statistical mechanics based on the Feynman path centroid density. I. Equilibrium properties
5. Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
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