[ASAP] Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.2c01204

Source: Journal of Chemical Theory and Computation - July 3, 2023 Category: Chemistry Authors: Burai Murayama, Masato Kobayashi, Masamitsu Aoki, Suguru Ishibashi, Takuya Saito, Takenobu Nakamura, Hiroshi Teramoto, and Tetsuya Taketsugu Source Type: research