{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T08:51:32Z","timestamp":1791363092001,"version":"4.3.1"},"reference-count":107,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2013,1,17]]},"DOI":"10.1021\/jp307505e","type":"journal-article","created":{"date-parts":[[2012,12,18]],"date-time":"2012-12-18T18:09:05Z","timestamp":1355854145000},"page":"439-450","source":"Crossref","is-referenced-by-count":10,"title":["Theoretical Study of Photochemical Hydrogen Abstraction by Triplet Aliphatic Carbonyls by Using Density Functional Theory"],"prefix":"10.1021","volume":"117","author":[{"given":"Caio L.","family":"Firme","sequence":"first","affiliation":[{"name":"Universidade Federal do Rio Grande do Norte, Instituto de Qu\u00edmica,\rAv. Salgado Filho, s\/n, Lagoa Nova, Natal\/RN, CEP 59072-970, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simon J.","family":"Garden","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica,\rUniversidade Federal do Rio de Janeiro, Cidade Universit\u00e1ria, Ilha do Fund\u00e3o, Centro de Tecnologia, Bloco A, Rio de Janeiro,\rRJ, CEP 21949-900, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nanci C.","family":"de Lucas","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica,\rUniversidade Federal do Rio de Janeiro, Cidade Universit\u00e1ria, Ilha do Fund\u00e3o, Centro de Tecnologia, Bloco A, Rio de Janeiro,\rRJ, CEP 21949-900, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David E.","family":"Nicodem","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica,\rUniversidade Federal do Rio de Janeiro, Cidade Universit\u00e1ria, Ilha do Fund\u00e3o, Centro de Tecnologia, Bloco A, Rio de Janeiro,\rRJ, CEP 21949-900, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rodrigo J.","family":"Correa","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica,\rUniversidade Federal do Rio de Janeiro, Cidade Universit\u00e1ria, Ilha do Fund\u00e3o, Centro de Tecnologia, Bloco A, Rio de Janeiro,\rRJ, CEP 21949-900, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2013,1,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"5556","DOI":"10.1002\/anie.201108398","volume":"51","author":"Lai W. Z.","year":"2012","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1558","DOI":"10.1021\/ar300054e","volume":"45","author":"Cuquerella M. C.","year":"2012","journal-title":"Acc. Chem. Res."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"10096","DOI":"10.1002\/anie.201006424","volume":"50","author":"Schwarz H.","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1021\/ar200024c","volume":"44","author":"Pratt D. A.","year":"2011","journal-title":"Acc. Chem. Res."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1021\/ar100093z","volume":"44","author":"Mayer J. M.","year":"2011","journal-title":"Acc. Chem. Res."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1870","DOI":"10.1039\/c0cs00165a","volume":"40","author":"Borovik A. S.","year":"2011","journal-title":"Chem. Soc. Rev."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"4902","DOI":"10.1039\/c1cs15058h","volume":"40","author":"Baudoin O.","year":"2011","journal-title":"Chem. Soc. Rev."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"3362","DOI":"10.1002\/anie.201006368","volume":"50","author":"Newhouse T.","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1060","DOI":"10.1021\/cr900269x","volume":"110","author":"Gunay A.","year":"2010","journal-title":"Chem. Rev."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"749","DOI":"10.1021\/cr900315k","volume":"110","author":"Balcells D.","year":"2010","journal-title":"Chem. Rev."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1021\/ar800077q","volume":"42","author":"Lyngdoh R. H. D.","year":"2009","journal-title":"Acc. Chem. Res."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"777","DOI":"10.1021\/ar300096z","volume":"45","author":"Doyle M. P.","year":"2012","journal-title":"Acc. Chem. Res."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"575","DOI":"10.1021\/cr900388d","volume":"110","author":"Crabtree R. H.","year":"2010","journal-title":"Chem. Rev."},{"key":"ref14\/cit14","volume-title":"Principles of Molecular Photochemistry: An Introduction","author":"Turro N. J.","year":"2009"},{"key":"ref15\/cit15","unstructured":"Rubin, M. B.InCRC Handbook of Organic Photochemistry and Photobiology;Horspool, W. M.; Song, P.S., Eds.CRC Press:Boca Raton, FL, 1995; pp430\u2013436."},{"key":"ref16\/cit16","unstructured":"Wagner, P. J.; Park, B.S.InOrganic Photochemistry;Padwa, A., Ed.Marcel Dekker:New York, 1991; Vol.11; pp227\u2013366."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","unstructured":"Geraghty, N. W. A.; Lohan, M. T.InCRC Handbook of Organic Photochemistry and Photobiology,3rd ed.Griesbeck, A.; Oelgem\u00f6ller, M.; Ghetti, F., Eds.CRC Press:Boca Raton, FL, 2012; pp445\u2013488.","DOI":"10.1201\/b12252-20"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"5604","DOI":"10.1021\/ja00798a027","volume":"95","author":"Wagner P. J.","year":"1973","journal-title":"J. Am. Chem. Soc."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1021\/ar50041a002","volume":"4","author":"Wagner P. J.","year":"1971","journal-title":"Acc. Chem. Res."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"3361","DOI":"10.1021\/ja01093a014","volume":"87","author":"Walling C.","year":"1965","journal-title":"J. Am. Chem. Soc."},{"key":"ref21\/cit21","volume-title":"Modern Molecular Photochemistry","author":"Turro N. J.","year":"1991"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2647","DOI":"10.1063\/1.1669495","volume":"48","author":"Dubois J. T.","year":"1968","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"6471","DOI":"10.1021\/ja01629a010","volume":"77","author":"Sidman J. W.","year":"1955","journal-title":"J. Am. Chem. Soc."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"6461","DOI":"10.1021\/ja01629a009","volume":"77","author":"Sidman J. W.","year":"1955","journal-title":"J. Am. Chem. Soc."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"6863","DOI":"10.1021\/ja01026a065","volume":"90","author":"Turro N. J.","year":"1968","journal-title":"J. Am. Chem. Soc."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1245","DOI":"10.1021\/ja00958a030","volume":"88","author":"Wagner P. J.","year":"1966","journal-title":"J. Am. Chem. Soc."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"4194","DOI":"10.1021\/ja01017a072","volume":"90","author":"Yang N. C.","year":"1968","journal-title":"J. Am. Chem. Soc."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2503","DOI":"10.1021\/ja00986a059","volume":"89","author":"Wagner P. J.","year":"1967","journal-title":"J. Am. Chem. Soc."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/0047-2670(73)80010-3","volume":"2","author":"Scaiano J. C.","year":"1973","journal-title":"J. Photochem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1021\/ar50051a002","volume":"5","author":"Turro N. J.","year":"1972","journal-title":"Acc. Chem. Res."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1407","DOI":"10.1021\/ja00812a024","volume":"96","author":"Charney D. R.","year":"1974","journal-title":"J. Am. Chem. Soc."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"2275","DOI":"10.1021\/ja9535118","volume":"118","author":"Nau W. M.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/0009-2614(72)85043-7","volume":"13","author":"Yip R. W.","year":"1972","journal-title":"Chem. Phys. Lett."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"9727","DOI":"10.1021\/ja011212e","volume":"123","author":"Pischel U.","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"5160","DOI":"10.1021\/j100329a020","volume":"92","author":"Tominaga K.","year":"1988","journal-title":"J. Phys. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"4154","DOI":"10.1021\/ja00404a029","volume":"103","author":"Das P. K.","year":"1981","journal-title":"J. Am. Chem. Soc."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"12339","DOI":"10.1021\/ja961973v","volume":"118","author":"Leigh W. J.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1562\/2005-06-20-RA-581","volume":"82","author":"Lathioor E. C.","year":"2006","journal-title":"Photochem. Photobiol."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"7093","DOI":"10.1021\/ja00310a056","volume":"107","author":"Wagner P. J.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"3471","DOI":"10.1021\/ja00990a020","volume":"89","author":"Cohen S. G.","year":"1967","journal-title":"J. Am. Chem. Soc."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1021\/ja01003a029","volume":"90","author":"Cohen S. G.","year":"1968","journal-title":"J. Am. Chem. Soc."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1021\/ja00977a042","volume":"89","author":"Cohen S. G.","year":"1967","journal-title":"J. Am. Chem. Soc."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1021\/cr60282a004","volume":"73","author":"Cohen S. G.","year":"1973","journal-title":"Chem. Rev."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"6542","DOI":"10.1021\/ja00753a036","volume":"93","author":"Cohen S. G.","year":"1971","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"619","DOI":"10.1021\/ja00393a020","volume":"103","author":"Griller D.","year":"1981","journal-title":"J. Am. Chem. Soc."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"6542","DOI":"10.1021\/ja00388a010","volume":"104","author":"Simon J. D.","year":"1982","journal-title":"J. Am. Chem. Soc."},{"key":"ref47\/cit47","unstructured":"Hammes-Schiffer, S.InHydrogen-Transfer Reactions;Hynes, J. T.; Klinman, J. P.; Limbach, H.H.; Schowen, R. L., Eds.Wiley-VCH Verlag GmbH & Co. KGaA:Weinheim, Germany, 2007; pp479\u2013502."},{"key":"ref48\/cit48","unstructured":"Hodgkiss, J. M.; Rosenthal, J.; Nocera, D. G.InHydrogen-Transfer Reactions;Hynes, J. T.; Klinman, J. P.; Limbach, H.H.; Schowen, R. L., Eds.Wiley-VCH Verlag GmbH & Co. KGaA:Weinheim, Germany, 2007; pp503\u2013562."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"4279","DOI":"10.1063\/1.1681731","volume":"61","author":"Chutjian A.","year":"1974","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1021\/j100180a030","volume":"96","author":"Foresman J. B.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"4293","DOI":"10.1021\/j100119a010","volume":"97","author":"Hadad C. M.","year":"1993","journal-title":"J. Phys. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"6293","DOI":"10.1021\/ja00855a001","volume":"97","author":"Harding L. B.","year":"1975","journal-title":"J. Am. Chem. Soc."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1021\/cr60293a003","volume":"75","author":"Moule D. C.","year":"1975","journal-title":"Chem. Rev."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"4147","DOI":"10.1063\/1.1674650","volume":"54","author":"Weiss M. J.","year":"1971","journal-title":"J. Chem. Phys."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/S0009-2614(98)01119-1","volume":"297","author":"Wiberg K. B.","year":"1998","journal-title":"Chem. Phys. Lett."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"677","DOI":"10.1021\/ja00445a003","volume":"99","author":"Harding L. B.","year":"1977","journal-title":"J. Am. Chem. Soc."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/j.theochem.2004.12.017","volume":"718","author":"Angeli C.","year":"2005","journal-title":"J. Mol. Struct."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"7148","DOI":"10.1021\/jo070958d","volume":"72","author":"Du Y.","year":"2007","journal-title":"J. Org. Chem."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"4060","DOI":"10.1063\/1.475804","volume":"108","author":"Frank I.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/0022-2852(82)90298-3","volume":"94","author":"Jensen P.","year":"1982","journal-title":"J. Mol. Spectrosc."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/S0166-1280(00)00759-4","volume":"541","author":"Ogurtsov I. Y.","year":"2001","journal-title":"J. Mol. Struct."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"3231","DOI":"10.1021\/ja00245a009","volume":"109","author":"Severance D.","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1039\/b110108k","volume":"1","author":"Pischel U.","year":"2002","journal-title":"Photochem. Photobiol. Sci."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/0375-9601(76)90557-0","volume":"59","author":"Gunnarsson O.","year":"1976","journal-title":"Phys. Lett. A"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"3136","DOI":"10.1103\/PhysRevB.20.3136","volume":"20","author":"Gunnarsson O.","year":"1979","journal-title":"Phys. Rev. B"},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"4274","DOI":"10.1103\/PhysRevB.13.4274","volume":"13","author":"Gunnarsson O.","year":"1976","journal-title":"Phys. Rev. B"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","DOI":"10.1002\/3527600043","volume-title":"A Chemist\u2019s Guide To Density Functional Theory","author":"Koch W.","year":"2001","edition":"2"},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1021\/jp065675o","volume":"111","author":"de Lucas N. C.","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jphotochem.2008.08.014","volume":"201","author":"de Lucas N. C.","year":"2009","journal-title":"J. Photochem. Photobiol., A"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"10746","DOI":"10.1039\/c002738c","volume":"12","author":"de Lucas N. C.","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"835","DOI":"10.1021\/ct050275a","volume":"2","author":"Li X.","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"2856","DOI":"10.1063\/1.462844","volume":"96","author":"Pulay P.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning J. T. H.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee C.","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref76\/cit76","volume-title":"Gaussian 09","author":"Frisch M. J.","year":"2009"},{"key":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"3032","DOI":"10.1063\/1.474659","volume":"107","author":"Cances E.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"5151","DOI":"10.1063\/1.473558","volume":"106","author":"Mennucci B.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/jcc.540110311","volume":"11","author":"Breneman C. M.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref80\/cit80","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1103\/RevModPhys.32.179","volume":"32","author":"Roothaan C. C. J.","year":"1960","journal-title":"Rev. Mod. Phys."},{"key":"ref81\/cit81","volume-title":"Atoms in Molecules: A Quantum Theory","author":"Bader R. F. W.","year":"1994","edition":"1"},{"key":"ref82\/cit82","unstructured":"Biegler-K\u00f6nig, F.; Sch\u00f6nbohm, J.AIM2000, version 2.0, 2002."},{"key":"ref83\/cit83","volume-title":"AIMALL","author":"Keith T. A.","year":"2012"},{"key":"ref84\/cit84","doi-asserted-by":"crossref","first-page":"8618","DOI":"10.1021\/jo048973v","volume":"69","author":"Perez-Prieto J.","year":"2004","journal-title":"J. Org. Chem."},{"key":"ref85\/cit85","doi-asserted-by":"crossref","first-page":"5104","DOI":"10.1021\/jo034225e","volume":"68","author":"Perez-Prieto J.","year":"2003","journal-title":"J. Org. Chem."},{"key":"ref86\/cit86","doi-asserted-by":"crossref","first-page":"7316","DOI":"10.1021\/jp055308x","volume":"110","author":"Pan Y.","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"ref87\/cit87","doi-asserted-by":"crossref","first-page":"5175","DOI":"10.1063\/1.458552","volume":"92","author":"Tominaga K.","year":"1990","journal-title":"J. Chem. Phys."},{"key":"ref88\/cit88","doi-asserted-by":"crossref","first-page":"900","DOI":"10.1063\/1.461098","volume":"95","author":"Levstein P. R.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref89\/cit89","doi-asserted-by":"crossref","first-page":"7314","DOI":"10.1021\/jp981794v","volume":"102","author":"Bader R. F. W.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"ref90\/cit90","doi-asserted-by":"crossref","first-page":"1632","DOI":"10.1063\/1.447878","volume":"81","author":"Noble M.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref91\/cit91","doi-asserted-by":"crossref","first-page":"945","DOI":"10.1063\/1.1726846","volume":"44","author":"Borkman R. F.","year":"1966","journal-title":"J. Chem. Phys."},{"key":"ref92\/cit92","doi-asserted-by":"crossref","first-page":"114304","DOI":"10.1063\/1.1862236","volume":"122","author":"Angeli C.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"ref93\/cit93","doi-asserted-by":"crossref","first-page":"1334","DOI":"10.1039\/C1RA00717C","volume":"2","author":"Domingo L. R.","year":"2012","journal-title":"RSC Adv."},{"key":"ref94\/cit94","doi-asserted-by":"crossref","first-page":"1922","DOI":"10.1021\/ja983494x","volume":"121","author":"Parr R. G.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ref95\/cit95","doi-asserted-by":"crossref","first-page":"4615","DOI":"10.1021\/jo800572a","volume":"73","author":"Domingo L. R.","year":"2008","journal-title":"J. Org. Chem."},{"key":"ref96\/cit96","doi-asserted-by":"crossref","first-page":"2714","DOI":"10.1007\/s11172-006-0182-6","volume":"54","author":"Bokarev S. L.","year":"2005","journal-title":"Russ. Chem. Bull."},{"key":"ref97\/cit97","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/0166-1280(94)03751-6","volume":"121","author":"Munozcaro C.","year":"1994","journal-title":"J. Mol. Struct."},{"key":"ref98\/cit98","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1016\/S0009-2614(00)00664-3","volume":"325","author":"Liu D.","year":"2000","journal-title":"Chem. Phys. Lett."},{"key":"ref99\/cit99","doi-asserted-by":"crossref","first-page":"334","DOI":"10.1021\/ja01607a027","volume":"77","author":"Hammond G. S.","year":"1955","journal-title":"J. Am. Chem. Soc."},{"key":"ref100\/cit100","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/jcc.540110311","volume":"11","author":"Breneman C. M.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref101\/cit101","doi-asserted-by":"crossref","first-page":"894","DOI":"10.1002\/jcc.540080616","volume":"8","author":"Chirlian L. E.","year":"1987","journal-title":"J. Comput. Chem."},{"key":"ref102\/cit102","doi-asserted-by":"crossref","first-page":"1048","DOI":"10.1021\/ja00395a009","volume":"103","author":"Inbar S.","year":"1981","journal-title":"J. Am. Chem. Soc."},{"key":"ref103\/cit103","doi-asserted-by":"crossref","first-page":"504","DOI":"10.1016\/0009-2614(91)87010-9","volume":"178","author":"Miyasaka H.","year":"1991","journal-title":"Chem. Phys. Lett."},{"key":"ref104\/cit104","doi-asserted-by":"crossref","first-page":"11142","DOI":"10.1021\/ja012732c","volume":"124","author":"Mayer J. M.","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"ref105\/cit105","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1146\/annurev.physchem.55.091602.094446","volume":"55","author":"Mayer J. M.","year":"2004","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref106\/cit106","doi-asserted-by":"crossref","first-page":"5794","DOI":"10.1021\/ja050024b","volume":"127","author":"Isborn C.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref107\/cit107","doi-asserted-by":"crossref","first-page":"7000","DOI":"10.1021\/ja7102907","volume":"130","author":"Tishchenko O.","year":"2008","journal-title":"J. Am. Chem. Soc."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp307505e","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T20:51:43Z","timestamp":1681505503000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp307505e"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,1,7]]},"references-count":107,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2013,1,17]]}},"alternative-id":["10.1021\/jp307505e"],"URL":"https:\/\/doi.org\/10.1021\/jp307505e","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,1,7]]}}}