ZB-19. Theoretical Modelling of Chemical Processes
Head of the Group: Prof. Zdzisław Latajka
M.Sc. 1971, Ph.D. 1978, D.Sc. 1992, Prof. 1999
Rector of the
Vice-Rector of the
Deputy Director of the
Corresponding Member of the
Member of the General Council of Higher
Vice-Chairman of the Users Council of the
Member of the Senate of the
Member of the University Accreditation Commission (1997–1999).
Visiting professor at the Université
Pierre et Marie Curie,
Member of the editorial boards of the Journal of
Molecular Structure – THEOCHEM (1991-1996),
Secretary of the
Secretary of the Commission of Theory and Structure
of Molecular and Condensed Systems,
Member of the Polish Chemical Society, World
Association of Theoretical Organic Chemists,
Dr. Moc Jerzy, D.Sc.
Dr. Wieczorek Robert, D. Sc.
Dr. Berski Sławomir
Dr. Bil Andrzej
Dr. Dopieralski Przemysław
Dr. Durlak Piotr
Dr. Gordon Agnieszka
Dr. Mierzwicki Krzysztof
Dr. Panek Jarosław
Borkowska-Panek Monika, M Sc.
Okrasiński Piotr, M. Sc.
Panek Paweł, M. Sc.
• Development of theoretical approaches in the study of molecular interactions.
• Application of advanced quantum chemical
methods to the study of the electron structure and properties of molecules,
• Theoretical analysis of the nature of chemical bonds and molecular complexes.
• Application of molecular dynamics methods to study of molecular complexes and crystals with hydrogen bond.
• Theoretical modelling of properties and structure of polymers and biopolymers.
• Theoretical modelling of nanomaterials.
• Silicon Graphics O2 Workstation.
• Two Multiprocessor PC cluster.
Recent research achievements
Explanation of the nature of chemical bonding in molecular systems containing rare gas atoms.
Proposition of new method for calculations of the basis set superposition error for many-body clusters.
The protein folding and protein structures belong to the most important issues of chemistry today.
The nature of the H-bonding
interactions play a fundamental role in the energetics
of peptide structures.
The protocovalent N-O bond: Quantum Chemical Topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid H-O-N=O and its relevancy to the experiment.
Chem .Phys. Lett., 2008, 460, 559-562.
Theor. Chem. Acc., 2008, 120, 243-261.