"Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface ..."

Richard J. Hall et al. (2000)

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DOI: 10.1002/1096-987X(200012)21:16<1433::AID-JCC2>3.0.CO;2-P

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type: Journal Article

metadata version: 2020-04-01

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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. J. Comput. Chem. 21(16): 1433-1441 (2000)

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