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MSc Theses

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Faculty of Chemistry

 

Jagiellonian University

 

 

 

 

Ø             Theoretical Description of Chemical Bonding

 

Natural Orbitals for Chemical Valence (NOCV)

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

Jagiellonian University

Faculty of Chemistry

Departament of Theoretical Chemistry

Kraków, Poland

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