CHINESE JOURNAL OF ENERGETIC MATERIALS
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Friction Sensitivity of Nitramines. Part Ⅳ: Links to Surface Electrostatic Potentials(英)
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Svatopluk Zeman, e-mail: svatopluk.zeman@upce.cz

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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. DOI:10.3969/j. issn.1006-9941.2011.06.004.
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. DOI:10.3969/j. issn.1006-9941.2011.06.004.

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  • 收稿日期: 2011-05-17
  • 最后修改日期: 2011-05-17
  • 录用日期: 2011-09-09
  • 在线发布日期: 2012-02-22
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