Politzer, Peter published the artcileC-NO2 dissociation energies and surface electrostatic potential maxima in relation to the impact sensitivities of some nitroheterocyclic molecules, Formula: C2H2N4O2, the publication is Molecular Physics (1995), 86(2), 251-5, database is CAplus.
A non-local d. functional procedure (GAUSSIAN 92/DFT, BLYP, 6-13**) has been used to compute the dissociation energies of the C-NO2 bond in five unsaturated nitro heterocyclic mols. These show a definite correlation with the maximum of the surface electrostatic potentials above these bonds, which amy explain why these potential maxima are one of the properties that appear in an earlier anal. representation of the measured impact sensitive of nitroheterocyclic compounds
Molecular Physics published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Formula: C2H2N4O2.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics