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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

Forfatter:
innbundet, 2023
Engelsk
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.
Opplag
2023 ed.
ISBN
9789819973200
Språk
Engelsk
Vekt
446 gram
Utgivelsesdato
4.11.2023
Antall sider
115