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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.)
  • Published : 2003.04.20

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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