Paweł Kadłubański, M.Sc.

A3/314
71 320 28 94

Research profile

·       The study of the new oxidation catalysts (experimental methods)

·       The study of the thermodynamic and electron facility of carbon and silicon clusters

·       The study of the ability of the grapheme structures to the hydrogen adsorption.

The study of the reaction of the sulfide oxidation with hydrogen peroxide in presence of selenium compounds

The study of the multipolar electrostatic interaction energy components in cation-π system  interactions


Publications

“The Evolution of Bonding and Thermodynamic Properties of Boron-Doped Small Carbon Clusters: An Ab Initio Study”; Julia Saloni, Paweł Kadłubański, Szczepan Roszak, D. Majumdar, Glake Hill Jr., Jerzy Leszczynski; ChemPhysChem 2011, 12, 1358 – 1366

 “Electronic Structures and Thermochemical Properties of Small Silicon Doped Boron Clusters BnSi (n = 1-7) and Their Anions”; Truong Ba Tai, Paweł Kadłubański, Szczepan Roszak, D. Majumdar, Jerzy Leszczynski and Minh Tho Nguyen,  ChemPhysChem 2011, 12, 2948 – 2958


Conference presentations

"Designing new materials for the hydrogen storage" Paweł Kadłubański, Szczepan Roszak, Modeling Interactions in Biomolecules IV, 14-19.09.2009, Hrubá Skála, Czech Republic

              

"The evolution of bonding and thermodynamic properties of boron doped small carbon clusters –an ab initio study", Paweł Kadłubański, Szczepan Roszak, Modelling and Design of Molecular Materials, 4-9.07.2010, Wrocław,

 

"4,4'-diphenylsulfide oxidation with hydrogen peroxide by using 2-phenyl-1,2-benzisoselenazol-3-(2H)-one and -phenyl-1,3,2-benzothiaselenazole 1,1-dioxide as catalysts-ab initio study", Paweł Kadzłubański, Szczepan Roszak, Modeling Interactions in Biomolecules V, 4-9.09.2011 Kutna Hora, Czech Republic

 

“Computational chemistry as a tool for designing functionalized materials”, Szczepan Roszak, Paweł Kadłubański, Rafał Roszak, Andrzej Drabarek, Methods and Applications of Computational Chemistry,  28.06-04.07.2011, Lviv, Ukraine

 

“The quantum-chemical studies as supporting tool for designing materials”, Rafał Roszak, Paweł Kadłubański Paweł Kadłubański, 11th Southern School on Computational Chemistry and Materials Science, 28-29.07.2011, Jackson, MS, USA,