Home – Home – Jornals – Journal of Structural Chemistry 2008 number 4

In large-scale molecular objects (nanostructures) such as dendromers, supramolecules, polymers, nanotubes, etc. external perturbations may have local character. When the perturbation is removed, atomic wave motions of a rather complex type may arise in the nanostructure. They can not only transfer signals inside the nanoobject, but also generate standing waves and antinodes and accumulate energy in other domains of the nanostructure, i.e., give rise to energy traps. These problems have not been addressed before. In this paper we propose a method to calculate the time-dependent evolution of these phenomena for large-scale molecular structures of arbitrary structure and size.