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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map - Springer Theses Takuro Tsutsumi
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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.
| Mediji | Grāmatas Paperback Book (Grāmata ar mīksto vāku un līmēto muguru) |
| Izlaists | 2024. gada 4. novembris |
| ISBN13 | 9789819973231 |
| Izdevēji | Springer Verlag, Singapore |
| Lapas | 115 |
| Izmēri | 150 × 220 × 10 mm · 213 g |