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QSPR Study of Correlation between Impact Sensitivity of m-Nitroaromatics and Electrotopological State Indices
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    Abstract:

    A quantitative structure-property relationship (QSPR) model with 4 variables was established with electrotopological state (E-state) indices,and was used to analyze the impact sensitivity of 20 kinds of nitroaromatics. The correlation coefficient and standard deviation of the model are 0.929 and 0.079. The model possesses better reliability and correlation. Results show that the main structural factors influencing the impact sensitivity of m-nitroaromatics are the 4 sub-structures such as saCa,N,—CH2— and —O—,which indicate that the electrical condition of atoms is an important factor affecting the impact sensitivity.

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王睿,蒋军成,潘勇,等.均三硝基苯类化合物撞击感度与电性拓扑指数的QSPR研究[J].含能材料,2008,16(1):90-93.
WANG Rui, JIANG Jun-cheng, PAN Yong, et al. QSPR Study of Correlation between Impact Sensitivity of m-Nitroaromatics and Electrotopological State Indices[J]. Chinese Journal of Energetic Materials,2008,16(1):90-93.

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History
  • Received:June 22,2007
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  • Online: May 06,2011
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