[A19-1pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A19-1pm-04] Reaction dynamics of ion-molecule collision beyond reaction-path-based understanding

^○Kohei Oda¹, Takuro Tsutsumi¹, Srihari Keshavamurthy^2,3, Kenji Furuya⁴, Tetsuya Taketsugu^3,5 (1. Graduate School of Chemical Sciences and Engineering, Hokkaido University, 2. Department of Chemistry, Indian Institute of Technology, Kanpur, 3. Department of Chemistry, Faculty of Science, Hokkaido University, 4. Faculty of Arts and Science, Kyushu University, 5. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University)

[Lang.] English

Keywords:Chemical Reaction Dynamics, Automated Reaction Path Search, Ion-molecule Collision Reaction, On-the-fly Molecular Dynamics, Potential Energy Surface