TY  - RPRT
TI  - Permutationally Restrained Diabatization by Machine Intelligence
AU  - Shu, Yinan
AU  - Varga, Zoltan (ORCID:000000029324798X)
AU  - Sampaio de Oliveira-Filho, Antonio Gustavo
AU  - Truhlar, Donald G. (ORCID:0000000277427294)
PY  - 2021
DO  - 10.1021/acs.jctc.0c01110
UR  - https://www.osti.gov/biblio/1852049
ID  - 1852049
ER  -