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

by Takuro Tsutsumi
language: english
Publisher: SPRINGER VERLAG, SINGAPORE, November of 2024 ‧
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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.

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

by Takuro Tsutsumi

Property Description
ISBN: 9789819973231
Publisher: SPRINGER VERLAG, SINGAPORE
Release Date: November of 2024
Language: English
Dimensions: 155 x 235 x 20 mm
Cover: Softcover
Pages: 115
Format: Book
Collection: Springer Theses
Categories: Books in English > Science > Physical
EAN: 9789819973231

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