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[ACS] Predicting Solvent Effects on SN2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models

ddquang Post time 6 day(s) ago | Show all posts |Read mode
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journalㄩThe Journal of Physical Chemistry B

AuthorsㄩMackenzie Taylor; Haibo Yu; Junming Ho

Published dateㄩ2022-11-10

DOIㄩ10.1021/acs.jpcb.2c06000

PDF linkㄩhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c06000

Article linkㄩhttps://doi.org/10.1021/acs.jpcb.2c06000

Article SourceㄩAmerican Chemical Society (ACS)﹝


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jakir_ete_ruet Intermediate member
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