Richard J. Hall, Sally A. Hindle, Neil A. Burton, Ian H. Hillier. Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase. Journal of Computational Chemistry, 21(16):1433-1441, 2000. [doi]
@article{HallHBH00,
title = {Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase},
author = {Richard J. Hall and Sally A. Hindle and Neil A. Burton and Ian H. Hillier},
year = {2000},
doi = {10.1002/1096-987X(200012)21:16<1433::AID-JCC2>3.0.CO;2-P},
url = {http://dx.doi.org/10.1002/1096-987X(200012)21:16<1433::AID-JCC2>3.0.CO;2-P},
tags = {optimization},
researchr = {https://researchr.org/publication/HallHBH00},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {21},
number = {16},
pages = {1433-1441},
}