rok 2007 - Fakulta chemickej a potravinárskej technológie
rok 2007 - Fakulta chemickej a potravinárskej technológie
rok 2007 - Fakulta chemickej a potravinárskej technológie
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1. semester (MSc) Chemical Physics I (2-1 h) M. Breza<br />
Thermodynamics (2-1 h) P. Šimon<br />
Kinetics and Catalysis (2-1 h) P. Kovařík<br />
Colloid Chemistry (2-0 h) T. Bleha<br />
Statistical Treatment and Evaluation of Exp.<br />
Data<br />
(2-0 h) E. Klein<br />
Group Theory and Symmetry (2-0 h) M. Breza, V. Kvasnička<br />
Special Laboratory Practice I (0-8 h) P. Rapta<br />
2. semester (MSc) Chemical Physics II (2-1 h) S. Biskupič<br />
Biophysical Chemistry (2-0 h) M. Valko<br />
Special Laboratory Practise II (0-6 h) P. Rapta<br />
Traineeship, Excursion<br />
3. semester (MSc) Molecular Spectroscopy (2-1 h) A. Staško<br />
Chemical Physics III (2-0 h) A. Gatial<br />
Solid State Physics (2-0 h M. Breza<br />
Special Laboratory Practice III (0-10 h) P. Rapta<br />
4. semester (MSc) Diploma Thesis (0-30 h)<br />
IV. CURRENT RESEARCH PROJECTS<br />
DEVELOPMENT AND APPLICATION OF COMPUTATIONAL METHODS TO THE STUDY OF<br />
ELECTRONIC STRUCTURE OF MOLECULAR SYSTEMS (Stanislav Biskupič)<br />
Quantum-chemical study of electron structure of transition metal and similar atoms complexes (such as catalysts<br />
based on Cu, Ni, Ru etc., Pb complexes, phosphazenes).<br />
Vibration and NMR spectroscopy and X-ray experimental study of the structure of some new-synthesized pushpull<br />
olefins as model compounds for the synthesis of new heterocyclic biologically active materials (or with<br />
possible biological activity).<br />
Program implementation of the methods for calculation of the vibrational-rotational states of the van der Waals<br />
complexes for analytically formulated potential energy hypersurfaces. Program modification of the expressions in<br />
the framework of the symmetry adapted perturbation theory (SAPT) for the effective evaluation of the 4th order<br />
contributions to the dispersion energy for mutual interaction of the open- and closed-shell systems within the UHF<br />
method.<br />
Implementation of the present software products for extraction of the so called experimental wave function<br />
(correctly said : the experimental distribution of the electron density) from X-ray data (the implementation of the<br />
object oriented package TONTO).<br />
Project duration: from 2006 to 2008<br />
SPECTROSCOPICAL ANALYSIS OF STRUCTURE AND REACTIVITY OF RADICALS AND<br />
TRANSITION METAL COMPLEXES IN CHEMICAL, BIOLOGICAL AND PHOTOCHEMICAL<br />
SYSTEMS (Vlasta Brezová)<br />
The aims of the project are the investigations of the structure and reactivity of radical intermediates and metal<br />
complexes in the chemical, electrochemical, photochemical, and biological systems applying spectroscopic<br />
methods (EPR, UV/Vis/NIR spectroscopy) and electrochemical techniques (voltammetry). The research is<br />
oriented especially on the physicochemical characterization of organic materials with specific properties, e.g.<br />
conducting polymers, as well as on the study of magnetic, redox and spectroscopic properties of transition metal<br />
complexes. The photochemical investigations are focused on the primary radical intermediates generated upon<br />
photoexcitation of organic compounds in heterogeneous titanium dioxide systems, as well as in homogeneous<br />
solutions using spin trapping technique. A further systematical development of combined spectroelectrochemical<br />
and spectrophotochemical methods, as well as an improving of experimental techniques and the analysis of error<br />
sources in quantitative EPR spectroscopy will be carried out.<br />
Project duration: from 2006 to 2008<br />
MATERIALS – physico-chemical methods of their study (Peter Šimon)<br />
The project is aimed at the development of methods of materials study and their use for processes exhibiting the<br />
induction period, e.g. thermooxidative processes and phase transitions. Non-stabilized and stabilized polymers<br />
and other materials belong to the main objects of the study. From the measurement of residual thermooxidative<br />
stability, the equivalency between accelerated ageing tests and natural ageing of materials is determined. The<br />
method will be applied for the life-time prediction of materials under extreme conditions, i. e. in automotive<br />
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