Visualization of the intrinsic reaction coordinate and global reaction route map by classical multidimensional scaling T Tsutsumi, Y Ono, Z Arai, T Taketsugu Journal of Chemical Theory and Computation 14 (8), 4263-4270, 2018 | 52 | 2018 |
Visualization of the dynamics effect: projection of on-the-fly trajectories to the subspace spanned by the static reaction path network T Tsutsumi, Y Ono, Z Arai, T Taketsugu Journal of chemical theory and computation 16 (7), 4029-4037, 2020 | 29 | 2020 |
Analyses of trajectory on-the-fly based on the global reaction route map T Tsutsumi, Y Harabuchi, Y Ono, S Maeda, T Taketsugu Physical chemistry chemical physics 20 (3), 1364-1372, 2018 | 29 | 2018 |
Visualization of reaction route map and dynamical trajectory in reduced dimension T Tsutsumi, Y Ono, T Taketsugu Chemical communications 57 (89), 11734-11750, 2021 | 24 | 2021 |
On-the-fly molecular dynamics study of the excited-state branching reaction of α-methyl-cis-stilbene T Tsutsumi, Y Harabuchi, R Yamamoto, S Maeda, T Taketsugu Chemical physics 515, 564-571, 2018 | 15 | 2018 |
Real-Time Probing of an Atmospheric Photochemical Reaction by Ultrashort Extreme Ultraviolet Pulses: Nitrous Acid Release from o-Nitrophenol Y Nitta, O Schalk, H Igarashi, S Wada, T Tsutsumi, K Saita, T Taketsugu, ... The Journal of Physical Chemistry Letters 12 (1), 674-679, 2021 | 13 | 2021 |
SPPR, a developmental version Y Harabuchi, M Okai, R Yamamoto, T Tsutsumi, Y Ono, T Taketsugu Hokkaido University: Sapporo, Japan, 2020 | 13 | 2020 |
Ultrafast Raman observation of the perpendicular intermediate phantom state of stilbene photoisomerization H Kuramochi, T Tsutsumi, K Saita, Z Wei, M Osawa, P Kumar, L Liu, ... Nature Chemistry 16 (1), 22-27, 2024 | 11 | 2024 |
Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space T Tsutsumi, Y Ono, T Taketsugu New Horizons in Computational Chemistry Software, 55-77, 2022 | 10 | 2022 |
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry T Tsuneda, H Sumitomo, M Hasebe, T Tsutsumi, T Taketsugu Journal of computational chemistry 44 (2), 93-104, 2023 | 8 | 2023 |
Multi-state energy landscape for photoreaction of stilbene and dimethyl-stilbene T Tsutsumi, Y Ono, T Taketsugu Journal of chemical theory and computation 18 (12), 7483-7495, 2022 | 8 | 2022 |
Natural reaction orbitals for characterizing electron transfer responsive to nuclear coordinate displacement S Ebisawa, M Hasebe, T Tsutsumi, T Tsuneda, T Taketsugu Physical chemistry chemical physics 24 (6), 3532-3545, 2022 | 6 | 2022 |
One-to-One Correspondence between Reaction Pathways and Reactive Orbitals M Hasebe, T Tsutsumi, T Taketsugu, T Tsuneda Journal of Chemical Theory and Computation 17 (11), 6901-6909, 2021 | 6 | 2021 |
Ab initio molecular dynamics study of intersystem crossing dynamics for MH2 (M = Si, Ge, Sn, Pb) on spin‐pure and spin‐mixed potential energy surfaces S Wada, T Tsutsumi, K Saita, T Taketsugu Journal of Computational Chemistry 45 (9), 552-562, 2024 | 3 | 2024 |
Geometric analysis of anharmonic downward distortion following paths S Ebisawa, T Tsutsumi, T Taketsugu Journal of computational chemistry 42 (1), 27-39, 2021 | 3 | 2021 |
Total and orbital density‐based analyses of molecules revealing long‐range interaction regions M Hasebe, T Tsutsumi, T Taketsugu, T Tsuneda Journal of Computational Chemistry 44 (31), 2391-2403, 2023 | 2 | 2023 |
Extension of natural reaction orbital approach to multiconfigurational wavefunctions S Ebisawa, T Tsutsumi, T Taketsugu The Journal of Chemical Physics 157 (8), 2022 | 2 | 2022 |
Dynamically Hidden Reaction Paths in the Reaction of CF3+ + CO K Oda, T Tsutsumi, S Keshavamurthy, K Furuya, PB Armentrout, ... ACS Physical Chemistry Au 2 (5), 388-398, 2022 | 2 | 2022 |
Switching the relaxation pathway by steric effects in conjugated dienes T Tentaku, R Atobe, T Tsutsumi, S Satoh, Y Harabuchi, T Taketsugu, ... Journal of Physics B: Atomic, Molecular and Optical Physics 54 (17), 174004, 2021 | 1 | 2021 |
Natural reaction orbitals S Ebisawa, M Hasebe, T Tsutsumi, T Tsuneda, T Taketsugu | 1 | 2021 |