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Electrostatic potential (eV) computed using the ISA distributed multipole analysis (ISA-DMA) on the isodensity surface of 10–3 electron/bohr3 around the static optimized isolated molecular structures of TNB, HNB, TNT, and RDX. Note that for some of the above molecules the maximum, Vmax is greater than the potential scale, which is +1 eV (red) to −1 eV (blue). Alternative h50%/cm measurements5,44,77,78 have been included in parentheses.
