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Chem."},{"key":"ref22\/cit22","unstructured":"The NBS Tables of Chemical Thermodynamic Properties.J. Phys. Chem. Ref. Data1982,11(Suppl. 2)."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"525","DOI":"10.6028\/jres.010.037","volume":"10","author":"Washburn E. N.","year":"1933","journal-title":"J. Res. Natl. Bur. Stand. (U.S.)"},{"key":"ref24\/cit24","volume-title":"Experimental Thermochemistry","volume":"1","author":"Hubbard W. N.","year":"1956"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"2051","DOI":"10.1351\/pac200678112051","volume":"78","author":"Wieser M. E.","year":"2006","journal-title":"Pure Appl. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/0040-6031(90)87017-7","volume":"171","author":"Ribeiro da Silva M. A. V.","year":"1990","journal-title":"Thermochim. Acta"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"778","DOI":"10.1016\/j.jct.2005.08.013","volume":"38","author":"Ribeiro da Silva M. A. V.","year":"2006","journal-title":"J. Chem. Thermodyn."},{"key":"ref28\/cit28","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":"ref29\/cit29","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref30\/cit30","volume-title":"Combustion Calorimety","volume":"1","author":"Westrum E. F.","year":"1979"},{"key":"ref31\/cit31","volume-title":"Experimental Thermochemistry","volume":"1","author":"Rossini F. D.","year":"1956"},{"key":"ref32\/cit32","volume-title":"Combustion Calorimety","volume":"1","author":"Olofsson G.","year":"1979"},{"key":"ref33\/cit33","volume-title":"CODATA Key Values for Thermodynamics","author":"Cox J. 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