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Reaction Profiles and Kinetics for RadicalâRadical Hydrogen Abstraction via Multireference Coupled Cluster Theory
Wu, Chia-Hua, Magers, D. Brandon, Harding, Lawrence B., Klippenstein, Stephen J., Allen, Wesley D.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00966
Date:
February, 2020
File:
PDF, 1.99 MB
english, 2020