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pro vyhledávání: '"Sanjay S. Garimella"'
Autor:
Qiyuan Zhao, Sai Mahit Vaddadi, Michael Woulfe, Lawal A. Ogunfowora, Sanjay S. Garimella, Olexandr Isayev, Brett M. Savoie
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-10 (2023)
Abstract Existing reaction transition state (TS) databases are comparatively small and lack chemical diversity. Here, this data gap has been addressed using the concept of a graphically-defined model reaction to comprehensively characterize a reactio
Externí odkaz:
https://doaj.org/article/402995be700f480f95d9da2b3060ef24
Publikováno v:
Journal of the American Chemical Society. 145:6135-6143
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4094df3218f45ffb6df166d7d6d050d6
https://doi.org/10.1021/jacs.2c11857
https://doi.org/10.1021/jacs.2c11857