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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map

Författare:
Engelska
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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.
Författare
Takuro Tsutsumi
ISBN
9789819973231
Språk
Engelska
Vikt
310 gram
Utgivningsdatum
2024-11-04
Sidor
115