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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:
inbunden, 2023
Engelska
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
Upplaga
2023 ed.
ISBN
9789819973200
Språk
Engelska
Vikt
446 gram
Utgivningsdatum
2023-11-04
Sidor
115