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"Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface ..."
Richard J. Hall et al. (2000)
- 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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