@article{articlef368dc28,
title   = {Permutationally restrained diabatization by machine intelligence},
author = {Shu, Yinan and Varga, Zoltan and Oliveira Filho, Antonio Gustavo Sampaio de and Truhlar, Donald G.},
year = {2021},
doi = {10.1021/acs.jctc.0c01110},
journal   = {Journal of Chemical Theory and Computation}
}