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1) I did not really understand what you wanted to know. It seem that your question was cut. Answerbag has a limited length for questions. 2) According to one reference I found, it could be useful to take "-1" instead of "+3" as the last term: "The heat content equations for the compounds were calculated to fit the conditions Ht - H298.16 = a + bT + cT^2 + dT^-l" Source and further information: http://ntrs.nasa.gov/archive/nasa/casi.ntrs.nasa.gov/19650073906_1965073906.pdf 3) I found some other articles about this issue, maybe it can help you: https://www.u-cursos.cl/ingenieria/2007/2/IQ46B/1/material_alumnos/previsualizar.php?id_material=6392 http://karin.fq.uh.cu/mmh/MOPAC6_TCH.pdf http://deepblue.lib.umich.edu/bitstream/2027.42/7039/4/bad0818.0001.001.txt http://www.ccl.net/cca/software/SOURCES/FORTRAN/mopac7_sources/mopac7.txt
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