About: Relationships between electronic charges at nitrogen atoms of primarily split off nitro groups and impact sensitivity of some polynitro arenes     Goto   Sponge   NotDistinct   Permalink

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  • Electronic charges q at nitrogen atoms of eight polynitro arenes were calculated by means of ab initio DFT B3LYP/6-31G** and semiempirical AM1 methods. The relationships have been confirmed between impact sensitivities of the arenes and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of molecules with trinitrophenyl building units in the initiation by impact.
  • Electronic charges q at nitrogen atoms of eight polynitro arenes were calculated by means of ab initio DFT B3LYP/6-31G** and semiempirical AM1 methods. The relationships have been confirmed between impact sensitivities of the arenes and q values for primarily split off nitro groups. These relationships directly specify the most reactive nitro groups of molecules with trinitrophenyl building units in the initiation by impact. (en)
Title
  • Relationships between electronic charges at nitrogen atoms of primarily split off nitro groups and impact sensitivity of some polynitro arenes
  • Relationships between electronic charges at nitrogen atoms of primarily split off nitro groups and impact sensitivity of some polynitro arenes (en)
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  • Relationships between electronic charges at nitrogen atoms of primarily split off nitro groups and impact sensitivity of some polynitro arenes
  • Relationships between electronic charges at nitrogen atoms of primarily split off nitro groups and impact sensitivity of some polynitro arenes (en)
skos:notation
  • RIV/00216305:26310/02:PU34156!RIV11-MSM-26310___
http://linked.open...avai/riv/aktivita
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  • V, Z(MSM 263100020)
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  • 662019
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  • RIV/00216305:26310/02:PU34156
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  • electronic charges, nitro groups, impact sensitivity, polynitro arenes (en)
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  • [4ABC426FDEC7]
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  • Pardubice
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  • Pardubice
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  • Proceedings of the 5th Seminar New Trend in Research of Energetic Materials
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  • Friedl, Zdeněk
  • Zeman, Svatopluk
  • Huczala, Radim
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Univerzita Pardubice
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  • 80-7194-435-1
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  • 26310
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