Analysis of the Geometrical Evolution in On-the-Fly...

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Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Mapping

Li, Xusong, Xie, Yu, Hu, Deping, Lan, Zhenggang
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00394
Date:
September, 2017
File:
PDF, 2.25 MB
english, 2017
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