【摘 要】
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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,
【机 构】
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Faculty of Chemistry, Brno University of Technology, CZ-612 00 Brno, The Czech RepublicInstitute of
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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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The friction sensitivity (FS) of five linear and eight cyclic nitramines has been determined.Arrhenius parameters of non-autocatalyzed thermal decomposition of