PHASES / ACTIVITIES

1. PHASE I. 01.06.2008-02.12.2008
1. Construction of nanostructure reference set
2. Quantum chemistry study of molecule set
3. Young researcher activities: a. development of coordinate generation algorithm, b. sorting potential molecule candidates
2. PHASE II. 02/12/2008-30.11.2009
1. Computation of aromaticity and spectral characteristics
2. Evaluation of magnetic response and ring current
3. Workshop: carbon nanostructures with applications in medicine and electronics
4. Young researcher activities: study of stability and topological characterization of nanostructures

MAIN OBJECTIVES

Study of carbon nanostructures by means of quantum chemistry methods (software upgrade; construction of nanostructure refernce set for software test; calculation of aromaticity, spectral characteristics, evaluation of magnetic response and ring current; topological characterization)