Takuro Tsutsumi
Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
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- More about Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
Format: Paperback / softback
Length: 115 pages
Publication date: 04 November 2024
Publisher: Springer Verlag, Singapore
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.
Dimension: 235 x 155 (mm)
ISBN-13: 9789819973231
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