Microcanonical Tunneling Rates from Density-of-States Instanton Theory
Author:
Affiliation:
1. Laboratory of Physical Chemistry, ETH Zürich, 8093 Zürich, Switzerland
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01118
Reference95 articles.
1. IR-laser photochemistry
2. Specific Rate Constants of Unimolecular Processes II. Adiabatic Channel Model
3. A master equation model for bimolecular reaction via multi-well isomerizing intermediates
4. MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions
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