• Title/Summary/Keyword: 니트

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

  • Pablo Duchowicz;Eduardo A. Castro;Pei-Chung Chen
    • Journal of the Korean Chemical Society
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    • v.47 no.2
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    • pp.89-95
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    • 2003
  • 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.