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Friction Sensitivity of Nitramines. Part Ⅳ: Links to Surface Electrostatic Potentials
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Faculty of Chemistry, Brno University of Technology

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    Abstract:

    The friction sensitivity (FS) of five aliphatic linear and eight cyclic nitramines has been determined and correlated with DFT B3LYP/6-31-G(d,p) // 6-311+G(d,p) positive (VS,max) and negative (VS,min) extremes of molecular surface electrostatic potentials VS(r). While there is an ambiguous relationship between the VS,max values and FS values, the decrease of FS is connected (more or less) with increase in VS,min values.

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Zdeněk Friedl, Marcela Jungová,Svatopluk Zeman,等. Friction Sensitivity of Nitramines. Part Ⅳ: Links to Surface Electrostatic Potentials(英)[J].含能材料,2011,19(6):613-615.
Zdeněk Friedl, Marcela Jungová,Svatopluk Zeman, et al. Friction Sensitivity of Nitramines. Part Ⅳ: Links to Surface Electrostatic Potentials[J]. Chinese Journal of Energetic Materials,2011,19(6):613-615.

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History
  • Received:May 17,2011
  • Revised:May 17,2011
  • Adopted:September 09,2011
  • Online: February 22,2012
  • Published: