Affiliation:
1. Spectral Sciences Incorporated, 4 Fourth Avenue, Burlington, MA 01824, USA
2. CNRS, Université de Bordeaux, ISM, UMR 5255, F-33400 Talence, France
Abstract
Thermal rate constant versus temperature for 1GB-Cav, ZPE-Cav, RPMD (RPMDdir: [Bulut et al., J. Phys. Chem. A, 2019, 123, 8766]), and experimentally derived results (Bowen [Bowen et al., J. Chem. Phys., 2021, 154, 084307]).
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy