Keywords: hromophores; DFT and MP2 levels; Molecular graphs for stacking-dimer, development of organic polymer materials with quadratic nonlinear optical (NLO) properties. The distinguishing feature of the work is complex approach including computer simulation, targeted synthesis of chromophores and polymers and the creation of NLO-active materials on this basis, as well as the study of physical-chemical and optical properties of the obtained materials.
