Quantum-chemical study of graphite nanoclusters geometric and electronic properties

The modeling of graphite nanoclusters of different size and form of edges are provided in the work. The value of interlayer distance in nanographites as a function of number of atoms in the layer, the dependence of interlayer distance from the form of edges and presence of point defects in nanographites were estimated. Geometrical and electronic characteristics of graphite nanoclusters were calculated.