The article presents the results of quantum-chemical calculations of an isolated molecule of pentaammine-(5-nitro-2H-tetrazolato-N²)cobalt (III) perchlorate (complex 1, NCP) and the products of its possible primary decomposition stage. Using Quantum chemical calculations in the approximation of the density functional theory, it was shown that the decomposition of complex 1 probably starts with the destruction of the 5-nitrotetrazole ligand and the elimination of the nitrogen molecule, but not with the elimination of the coordinated ammonia molecule from the inner sphere of the cobalt complex. The likelihood of this mechanism increases with the addition of highly conductive nanocarbon additives. The effect of the addition of multilayer graphene additives on the interaction of laser radiation with the above complex has been examined in detail, and two variants of mechanisms for this effect have been identified. A real model of a laser detonator based on the experimental data, has been created.