Kinetic analysis for the multistep profiles of organic reactions: significance of the conformational entropy on the rate constants of the Claisen rearrangement Y Sumiya, Y Nagahata, T Komatsuzaki, T Taketsugu, S Maeda The Journal of Physical Chemistry A 119 (48), 11641-11649, 2015 | 47 | 2015 |
Reactivity boundaries for chemical reactions associated with higher-index and multiple saddles Y Nagahata, H Teramoto, CB Li, S Kawai, T Komatsuzaki Physical Review E 88 (4), 042923, 2013 | 20 | 2013 |
Deciphering time scale hierarchy in reaction networks Y Nagahata, S Maeda, H Teramoto, T Horiyama, T Taketsugu, ... The Journal of Physical Chemistry B 120 (8), 1961-1971, 2016 | 16 | 2016 |
Reactivity boundaries to separate the fate of a chemical reaction associated with an index-two saddle Y Nagahata, H Teramoto, CB Li, S Kawai, T Komatsuzaki Physical Review E 87 (6), 062817, 2013 | 13 | 2013 |
Identifying reaction pathways in phase space via asymptotic trajectories Y Nagahata, F Borondo, RM Benito, R Hernandez Physical Chemistry Chemical Physics 22 (18), 10087-10105, 2020 | 7 | 2020 |