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pro vyhledávání: '"Seth Keeton"'
Autor:
Ryan Snyder, Bryant Kim, Yihan Shao, Pedro Ojeda-May, Mellisa M. Hege, Seth Keeton, Jingzhi Pu, Mulpuri Nagaraju, Yan Zhou
Publikováno v:
J Chem Theory Comput
First-principles determination of free energy profiles for condensed-phase chemical reactions is hampered by the daunting costs associated with configurational sampling on ab initio quantum mechanical/molecular mechanical (AI/MM) potential energy sur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::071b95c01f007d4c029ff25209fa3a2e
https://doi.org/10.1021/acs.jctc.1c00245
https://doi.org/10.1021/acs.jctc.1c00245
