[ACS] EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate Constants〞A Code for Automatically Predicting the Thermal Kinetics of Reactions

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journalㄩJournal of Chemical Theory and Computation

AuthorsㄩC. Cavallotti; M. Pelucchi; Y. Georgievskii; S. J. Klippenstein

Published dateㄩ2019-2-12

DOIㄩ10.1021/acs.jctc.8b00701

PDF linkㄩhttps://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00701

Article linkㄩhttps://doi.org/10.1021/acs.jctc.8b00701

Article SourceㄩAmerican Chemical Society (ACS)﹝


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