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Quim."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1007\/s10973-006-7509-2","volume":"89","author":"Santos L. M. N. B. F.","year":"2007","journal-title":"J. Therm. Anal. Calorim."},{"key":"ref28\/cit28","volume-title":"Experimental Thermochemistry","volume":"1","author":"Coops J.","year":"1956"},{"key":"ref29\/cit29","volume-title":"Certificate of Analysis","year":"1995"},{"key":"ref30\/cit30","unstructured":"The NBS Tables of Chemical Thermodynamic Properties,J. Phys. Chem. Ref. Data 1982, 11 (Suppl. 2)."},{"key":"ref31\/cit31","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. (US)"},{"key":"ref32\/cit32","volume-title":"Experimental Thermochemistry","volume":"1","author":"Hubbard W. 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