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Phys."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1103\/PhysRev.46.618","volume":"46","author":"M\u00f8ller C.","year":"1934","journal-title":"Phys. Rev."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning T. H.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"4572","DOI":"10.1063\/1.470645","volume":"103","author":"Woon D. E.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"553","DOI":"10.1080\/00268977000101561","volume":"19","author":"Boys S. F.","year":"1970","journal-title":"Mol. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"2999","DOI":"10.1021\/cr9904009","volume":"105","author":"Tomasi J.","year":"2005","journal-title":"Chem. Rev."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"2027","DOI":"10.1021\/cr00031a013","volume":"94","author":"Tomasi J.","year":"1994","journal-title":"Chem. Rev."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"3210","DOI":"10.1063\/1.474671","volume":"107","author":"Barone V.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref54\/cit54","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004","edition":"01"},{"key":"ref55\/cit55","unstructured":"Keith, T. A.AIMALL,version 12.06.03, 2012."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"1679","DOI":"10.1007\/s00894-010-0692-x","volume":"16","author":"Bulat F. A.","year":"2010","journal-title":"J. Mol. 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Quantum Chem."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi A.","year":"1964","journal-title":"J. Phys. Chem."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules: A Quantum Theory","author":"Bader R. F. W.","year":"1990"},{"key":"ref64\/cit64","volume-title":"Atoms in Molecules: An Introduction","author":"Popelier P.","year":"2000"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","DOI":"10.1002\/9783527610709","volume-title":"The Quantum Theory of Atoms in Molecules. From Solid State to DNA and Drug Design","author":"Matta C. F.","year":"2007"},{"key":"ref66\/cit66","first-page":"3725","author":"Zeng Y.","year":"2010","journal-title":"Int. J. Quantum Chem."},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1021\/jp907550k","volume":"114","author":"Amezaga N. 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