DOE OSTI · 1852049
Permutationally Restrained Diabatization by Machine Intelligence
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Shu, Yinan, Varga, Zoltan (ORCID:000000029324798X), Sampaio de Oliveira-Filho, Antonio Gustavo, Truhlar, Donald G. (ORCID:0000000277427294). 2021-01-06. Permutationally Restrained Diabatization by Machine Intelligence. https://doi.org/10.1021/acs.jctc.0c01110
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