Photoinduced Dynamics with Constrained Vibrational Motion:...

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Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

Negrin-Yuvero, H., Freixas, V. M., Rodriguez-Hernandez, B., Rojas-Lorenzo, G., Tretiak, S., Bastida, A., Fernandez-Alberti, S.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00930
Date:
November, 2020
File:
PDF, 2.21 MB
2020
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