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http://dx.doi.org/10.5012/jkcs.2003.47.2.089

Improved Correlation Between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds  

Pablo Duchowicz (CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata)
Eduardo A. Castro (CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata)
Pei-Chung Chen (Department of Chemical Engineering, Hsiuping Institute of Technology, Gungye Rd.)
Publication Information
Journal of the Korean Chemical Society / v.47, no.2, 2003 , pp. 89-95 More about this Journal
Abstract
We present improved correlations between theoretical and experimental determination of heat of formation of some aliphatic nitro compounds. The method is based on a previously given theoretical procedure, which is ameliorate through the introduction of suitable bond parameters. The comparison with available experimental data and previous theoretical estimation show a quite satisfactory improvement. Some possible further extensions are pointed out.
Keywords
Heat of Formation; Aliphatic Nitro Compounds; Semi-Empirical Methods;
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