Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon. Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. Journal of Computational Chemistry, 31(4):778-790, 2010. [doi]
@article{LiFNKJG10,
title = {Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation},
author = {Hui Li and Dmitri G. Fedorov and Takeshi Nagata and Kazuo Kitaura and Jan H. Jensen and Mark S. Gordon},
year = {2010},
doi = {10.1002/jcc.21363},
url = {http://dx.doi.org/10.1002/jcc.21363},
researchr = {https://researchr.org/publication/LiFNKJG10},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {31},
number = {4},
pages = {778-790},
}