Baraboshkin, N. M. published the artcileTheoretical estimation of the sublimation enthalpy of azoles, Safety of 5-Nitro-1H-1,2,3-triazole, the publication is Russian Chemical Bulletin (2021), 70(10), 1893-1899, database is CAplus.
The crystal structures of number of azoles were modeled using the quantum chem. and Atom-Atom potential methods. The crystal packing was carried out by the local minimization of the crystal structure in the exptl. space group, for which purpose the energy of the crystalline lattice was described by a set of van der Waals interactions in the form of the Buckingham 6-exp potential and Coulomb electrostatic interactions. The enthalpies of sublimation of the calculated and exptl. crystals are satisfactorily consistent. The prediction for the compounds with earlier unknown enthalpies of sublimation was performed on the basis of the obtained data.
Russian Chemical Bulletin 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, Safety of 5-Nitro-1H-1,2,3-triazole.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics