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Rev."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1039\/b008034i","volume":"31","author":"Brunschwig B. S.","year":"2002","journal-title":"Chem. Soc. Rev."},{"key":"ref8\/cit8","first-page":"424","volume":"35","author":"D\u2019Alessandro D. M.","year":"2006","journal-title":"Chem. Soc. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"8434","DOI":"10.1021\/ja991264s","volume":"121","author":"Lambert C.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1016\/0010-8545(85)80047-3","volume":"64","author":"Hush N. S.","year":"1985","journal-title":"Coord. Chem. Rev."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"4206","DOI":"10.1021\/ja00167a016","volume":"112","author":"Farazdel A.","year":"1990","journal-title":"J. Am. Chem. Soc."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1021\/j100103a019","volume":"97","author":"Sanz J. F.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"ref13\/cit13","first-page":"485","volume":"76","author":"Sanz J. F.","year":"2000","journal-title":"Int. J. Quantum Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"6474","DOI":"10.1021\/jp048449s","volume":"108","author":"Lambert C.","year":"2004","journal-title":"J. Chem. Phys. A"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"7834","DOI":"10.1021\/ja0395386","volume":"126","author":"Szeghalmi A. V.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1002\/jcc.20982","volume":"30","author":"Helal W.","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"174102","DOI":"10.1063\/1.2911699","volume":"128","author":"Pastore M.","year":"2008","journal-title":"J. Chem. Phys."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.theochem.2008.10.042","volume":"896","author":"Pastore M.","year":"2009","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"5240","DOI":"10.1021\/jp900663p","volume":"113","author":"Helal W.","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1016\/j.cplett.2008.09.059","volume":"465","author":"Monari A.","year":"2008","journal-title":"Chem. Phys. Lett."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"024301","DOI":"10.1063\/1.3054709","volume":"130","author":"Vetere V.","year":"2009","journal-title":"J. Chem. 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