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Markov-State Transition Path Analysis of Electrostatic Channeling

[Image: see text] Electrostatic channeling is a naturally occurring approach to control the flux of charged intermediates in catalytic cascades. Computational techniques have enabled quantitative understanding of such mechanisms, augmenting experimental approaches by modeling molecular interactions...

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Detalles Bibliográficos
Autores principales:	Liu, Yuanchao, Hickey, David P., Minteer, Shelley D., Dickson, Alex, Calabrese Barton, Scott
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6602406/ https://www.ncbi.nlm.nih.gov/pubmed/31275507 http://dx.doi.org/10.1021/acs.jpcc.9b02844

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