|
|
|
|
|
Ø
Theoretical Description of Chemical Bonding Natural
Orbitals for Chemical and ETS-NOCV
Energy Decomposition Applications
of NOCV / ETS-NOCV Localized
Orbitals from Bond-Order Operator (LOBO) Ø
DFT modeling
of ethylene polymerization processes Polymerization
Activity of Half-Metallocene Complexes Polyolefin
Branching in the Processes Catalyzed by Late-TM complexes Copolymerization
of Ethylene with Polar Monomers Ø DFT modeling of Ammonia Borane Dehydrogenation Ø Ab initio Molecular Dynamics Contact Prof. Artur Michalak Faculty of Chemistry Departament of Theoretical Chemistry R. Ingardena 3, 30-060 Kraków phone: (+48)-12-663-2217 fax: (+48)-12-634-0515 e-mail: michalak@chemia.uj.edu.pl |
|
Prof. Artur Michalak |
last updated: March
10, 2010; 17:23:50 |
|
|
|
