Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map [1 ed.] 9789819973217, 9789819973200

This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyz

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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map [1 ed.]
 9789819973217, 9789819973200

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