Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map - Springer Theses - Takuro Tsutsumi - Books - Springer Verlag, Singapore - 9789819973231 - November 4, 2024
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Takuro Tsutsumi
Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map - Springer Theses

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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.

Media Books     Paperback Book   (Book with soft cover and glued back)
Released November 4, 2024
ISBN13 9789819973231
Publishers Springer Verlag, Singapore
Pages 115
Dimensions 150 × 220 × 10 mm   ·   213 g

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