Improved Correlation between Theoretical and Experimental Determination of Heat of Formation of Some Aliphatic Nitro Compounds
Science Direct Working Paper No S1574-0331(04)70264-7
10 Pages Posted: 26 May 2017 Last revised: 9 Dec 2017
Date Written: May 2002
Abstract
We present improved correlations between theoretical and experimental determ ination of heat of formation of some aliphatic nitro compounds. The method is based on a previously given theoretical procedure, which is am eliorate through the introduction of suitable bond param eters. The comparison with available experimental data and previous theoretical estimation show a quite satisfactory improvement. Som e possible further extensions are pointed out.
Keywords: Heat of formation, Aliphatic nitro compounds, Semi-empirical methods
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