Journal Articles
Journal of Chemical Theory and Computation
Year : 2022
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https://hal-univ-evry.archives-ouvertes.fr/hal-03983024
Submitted on : Friday, February 10, 2023-4:55:08 PM
Last modification on : Wednesday, May 31, 2023-3:51:30 PM
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- HAL Id : hal-03983024 , version 1
- DOI : 10.1021/acs.jctc.2c00404
- PUBMEDCENTRAL : PMC9753598
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Ali Hashemi, Sana Bougueroua, Marie-Pierre Gaigeot, Evgeny Pidko. ReNeGate: A Reaction Network Graph-Theoretical Tool for Automated Mechanistic Studies in Computational Homogeneous Catalysis. Journal of Chemical Theory and Computation, 2022, 18 (12), pp.7470-7482. ⟨10.1021/acs.jctc.2c00404⟩. ⟨hal-03983024⟩
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