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Chem."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"4675","DOI":"10.1021\/ja056600l","volume":"128","author":"Chen W.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"1048","DOI":"10.1021\/jp027149c","volume":"107","author":"Chang C. E.","year":"2003","journal-title":"J. Phys. Chem. B"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"2652","DOI":"10.1063\/1.1636153","volume":"120","author":"Peter C.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"024107","DOI":"10.1063\/1.2746329","volume":"127","author":"Killian B. J.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"655","DOI":"10.1002\/jcc.20589","volume":"28","author":"Hnizdo V.","year":"2007","journal-title":"J. Comput. 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