Quantifying bond strengths via a Coulombic force model: application to the impact sensitivity of nitrobenzene, nitrogen-rich nitroazole, and non-aromatic nitramine molecules
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DOI: 10.1007/s00894-021-04669-5
Abstract: The quantification of bond strengths is a useful and general concept in chemistry. In this work, a Coulombic force model based on atomic electric charges computed using the accurate distributed multipole analysis (DMA) partition of… read more here.
Keywords: coulombic force; bond; sensitivity; force model ... See more keywords