Modeling of The Electronic Structure of Nanosystems

Purpose of study:

• The study of electronic structure of new promising compounds
• Determination of the quantitative relationships of physical and chemical properties of matter

Result:

Clusters of crystal structures of calcium silicate polymorphs and polyiodide structures in the organic crystals compounds were studied.

Authors:

E.V. Bartashevich associate professor, Department “Inorganic Chemistry Chemicalо” school, head. laboratory “Multiscale modeling of multi-functional materials”

graduate student, engineer REC “Nanotechnology” Yushin I. D. and Shmanina E. A.