Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks

Li, Chunyan; Wetthasinghe, Shehani T.; Lin, Huina; Zhu, Tianyu; Tang, Chuanbing; Rassolov, Vitaly; Wang, Qi; Garashchuk, Sophya

doi:10.1021/acs.jctc.1c01201

Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks

Journal Article · 11 April 2022 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.1c01201· OSTI ID:1977923

Li, Chunyan ^[1]; Wetthasinghe, Shehani T. ^[2]; Lin, Huina ^[2]; ^[2]; ^[2]; ^[2]; Wang, Qi ^[1]; ^[2]

Department of Mathematics, University of South Carolina, Columbia, South Carolina 29208, United States
Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States

Not provided.

Research Organization:: Univ. of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0020272

OSTI ID:: 1977923

Journal Information:: Journal of Chemical Theory and Computation, Vol. 18, Issue 5; ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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