Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. Freindorf, M., Shao, Y., Furlani, T. R., & Kong, J. Journal of Computational Chemistry, 26(12):1270–1278, 2005. Paper doi bibtex @article{DBLP:journals/jcc/FreindorfSFK05,
author = {Marek Freindorf and
Yihan Shao and
Thomas R. Furlani and
Jing Kong},
title = {Lennard-Jones parameters for the combined {QM/MM} method using the
B3LYP/6-31G*/AMBER potential},
journal = {Journal of Computational Chemistry},
volume = {26},
number = {12},
pages = {1270--1278},
year = {2005},
url = {https://doi.org/10.1002/jcc.20264},
doi = {10.1002/jcc.20264},
timestamp = {Sat, 16 Sep 2017 01:00:00 +0200},
biburl = {https://dblp.org/rec/bib/journals/jcc/FreindorfSFK05},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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