to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

The approaches range from theoretical studies – including statistical physics of non-equilibrium systems – to the organic synthesis of molecules and macromolecules, and they include many experimental studies on biological and biomimetic systems in which the parameters can be changed. A variety of microscopical techniques are used such as optical, multiphoton, electron and atomic force microscop...