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Food Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1021\/jf60205a029","volume":"24","author":"Van Alfen N. K.","year":"1976","journal-title":"J. Agric. Food Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/j.dyepig.2003.10.009","volume":"61","author":"Pinheiro H. M.","year":"2004","journal-title":"Dyes Pigm."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"609","DOI":"10.1071\/CH03143","volume":"57","author":"Srinivasa G. R.","year":"2004","journal-title":"Aust. J. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"496","DOI":"10.1016\/j.jenvman.2007.06.009","volume":"85","author":"Kulkarni M.","year":"2007","journal-title":"J. Environ. Manage."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1002\/jctb.1924","volume":"83","author":"Cho Y.-S.","year":"2008","journal-title":"J. Chem. Technol. 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Sci., Part A"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1248\/cpb.54.1653","volume":"54","author":"Suzuki Y.","year":"2006","journal-title":"Chem. Pharm. Bull."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1007\/s11094-007-0014-5","volume":"41","author":"Kotovskaya S. K.","year":"2007","journal-title":"Pharm. Chem. J."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1627","DOI":"10.1016\/S0040-4039(00)02349-2","volume":"42","author":"Krch\u00f2\u00e1k V.","year":"2001","journal-title":"Tetrahedron Lett."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1021\/jo00027a019","volume":"57","author":"Parker K. A.","year":"1992","journal-title":"J. Org. Chem."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2052","DOI":"10.1021\/jp0672407","volume":"111","author":"Ribeiro da Silva M. A. V.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1852","DOI":"10.1246\/bcsj.79.1852","volume":"79","author":"Ribeiro da Silva M. A. V.","year":"2006","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"13356","DOI":"10.1021\/jp0519565","volume":"109","author":"Ribeiro da Silva M. A. V.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/j.jct.2007.07.007","volume":"40","author":"Ribeiro da Silva M. A. V.","year":"2008","journal-title":"J. Chem. Thermodyn."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1074","DOI":"10.1016\/j.jct.2009.04.012","volume":"41","author":"Ribeiro da Silva M. A. V.","year":"2009","journal-title":"J. Chem. Thermodyn."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1247","DOI":"10.1016\/j.jct.2009.05.013","volume":"41","author":"Ribeiro da Silva M. A. V.","year":"2009","journal-title":"J. Chem. Thermodyn."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/j.jct.2008.07.012","volume":"41","author":"Ribeiro da Silva M. A. V.","year":"2009","journal-title":"J. Chem. Thermodyn."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/j.jct.2009.06.008","volume":"42","author":"Ribeiro da Silva M. A. V.","year":"2010","journal-title":"J. Chem. Thermodyn."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2517","DOI":"10.1021\/je9000872","volume":"54","author":"Ribeiro da Silva M. A. V.","year":"2009","journal-title":"J. Chem. Eng. Data"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1104","DOI":"10.1016\/j.jct.2009.04.017","volume":"41","author":"Ribeiro da Silva M. A. V.","year":"2009","journal-title":"J. Chem. 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I.","year":"1978"},{"key":"ref45\/cit45","volume":"11","author":"Wagman D. D.","year":"1982","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref46\/cit46","first-page":"15","volume-title":"Experimental Thermochemistry","author":"Good W. D.","year":"1962"},{"key":"ref47\/cit47","first-page":"75","volume-title":"Experimental Thermochemistry","author":"Hubbard W. N.","year":"1956"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"653","DOI":"10.1039\/TF9646000653","volume":"60","author":"Cox J. D.","year":"1964","journal-title":"Trans. Faraday Soc."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"525","DOI":"10.6028\/jres.010.037","volume":"10","author":"Washburn E. W.","year":"1933","journal-title":"J. Res. Natl. Bur. Stand. (U.S.)."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"757","DOI":"10.1021\/je050502y","volume":"51","author":"Monte M. J. S.","year":"2006","journal-title":"J. Chem. Eng. Data"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"12988","DOI":"10.1021\/jp906413y","volume":"113","author":"Freitas V. L. S.","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"7650","DOI":"10.1063\/1.478676","volume":"110","author":"Baboul A. G.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"ref53\/cit53","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref54\/cit54","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":"ref55\/cit55","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":"ref56\/cit56","volume-title":"CODATA Key Values for Thermodynamics","author":"Cox J. D.","year":"1989"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"793","DOI":"10.1016\/S0021-9614(73)80041-2","volume":"5","author":"Johnson G. K.","year":"1973","journal-title":"J. Chem. Thermodyn."},{"key":"ref58\/cit58","first-page":"297","volume-title":"Experimental Thermochemistry","author":"Rossini F. D.","year":"1956"},{"key":"ref59\/cit59","first-page":"137","volume-title":"Experimental Chemical Thermodynamics","author":"Olofsson G.","year":"1979"},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1039\/tf9666200539","volume":"62","author":"Clarke E. C. W.","year":"1966","journal-title":"Trans. Faraday Soc."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1021\/je9004036","volume":"55","author":"Monte M. J. S.","year":"2010","journal-title":"J. Chem. Eng. Data"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1007\/BF00673701","volume":"4","author":"Chickos J. 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