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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map - Springer Theses Takuro Tsutsumi
Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map - Springer Theses
Takuro Tsutsumi
This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics.
| Medij | Knjige Paperback Book (Knjiga z mehkimi platnicami in lepljenim hrbtom) |
| Izdano | 4. novembra 2024 |
| ISBN13 | 9789819973231 |
| Založniki | Springer Verlag, Singapore |
| Strani | 115 |
| Dimenzije | 150 × 220 × 10 mm · 213 g |