напівемпіричні методи

The quantum-chemical modeling of the synthesis process chemistry of CdS and CdSe in aqueos solutions was carried out. For that reason, the CdS synthesis simulation was carried out through the formation of Cd(II) complex forms with the trisodium citrate and ammonium hydroxide. At the CdSe synthesis, the sodium selenosulfate with and without trisodium citrate was used. It was established that this process passes through several intermediate stages with the transitional reactive complexes formation.

The quantum-chemical modeling of the synthesis process chemistry of ZnS and ZnSe in aqueos solutions was carried out.For modeling the simulation of ZnS synthesis was made through the formation of Zn(II) complex forms with the trisodium citrate, sodium hydroxide and the pair of ammonium hydroxide with hydrazine hydrate. For the synthesis of ZnSe was used only sodium hydroxide.It was established that this process passes through several intermediate stages with the transitional reactive complexes formation.