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Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","volume":"13","author":"Miyamoto S.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen H. J. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","unstructured":"Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J.Intermolecular Forces;Pullman, B., Ed.D. Reidel Publishing Company,Dorbrecht, The Netherlands, 1981; pp331\u2212342.","DOI":"10.1007\/978-94-015-7658-1_21"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1016\/0022-2836(80)90289-2","volume":"138","author":"Cohen F. E.","year":"1980","journal-title":"J. Mol. 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