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Accounting for non-optimal interactions in molecular recognition: a study of ion–π complexes using a QM/MM model with a dipole-polarisable MM region
School of Pharmacy and Pharmaceutical Sciences, University of Manchester, Oxford Road, Manchester, UK
Phys. Chem. Chem. Phys., 2011,13, 19401-19408
Received 15 Jun 2011, Accepted 02 Sep 2011
First published online 29 Sep 2011
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