Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch. Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. Journal of Computational Chemistry, 24(6):760-769, 2003. [doi]
@article{VrevenMFSF03,
title = {Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints},
author = {Thom Vreven and Keiji Morokuma and Ödön Farkas and H. Bernhard Schlegel and Michael J. Frisch},
year = {2003},
doi = {10.1002/jcc.10156},
url = {http://dx.doi.org/10.1002/jcc.10156},
tags = {optimization, constraints},
researchr = {https://researchr.org/publication/VrevenMFSF03},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {24},
number = {6},
pages = {760-769},
}