Title	Structure Analysis
Code	ÚCHV/STA1/03	Teacher	Černák Juraj
ECTS credits	6	Hrs/week	2/2
Assessment	Examination	Semester	1, 3
T/L method	Lecture, Practical
Objective	To teach students about symmetry at the micro- and macrostructural level,  about diffraction methods used for crystal structure determination and how to use the results of the crystal structure analysis in their own work.
Content	Historical introduction: importance of diffraction methods. Origin and properties of x-rays. Elements of symmetry; space groups. Crystallographic systems; Bravais unit cells. Miller indices. Theory of diffraction; Laue and Bragg equations. Reciprocal space; Ewald construction. Single crystal diffraction methods; automatic diffractometers. Powder diffraction: Debye-Scherrer and diffractometric methods, their theory and use. Atomic factor, structure factor, electronic density and their relationship. The phase problem: overview of the methods for solving the phase problems. Refinement of the structure; geometric parameters. Crystallisation processes; methods of preparation of single crystals. Density. Basic inorganic structure types.
Recommended reading	Clegg W.: Crystal Structure Determination, Oxford University Press, 1998 Luger, P.: Modern X-ray Analysis on Single Crystals. Walter de Gruyter, Berlin, 1980

Title	Colloid Chemistry
Code	ÚCHV/FKC1/03	Teacher	Kladeková Daniela, Markušová Kvetoslava
ECTS credits	4	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To clarify basic physicochemical principles of colloid disperse systems (sise of dispersed particles); to examine selected important problems of technology and nature.
Content	Classification and characterisation of dispersed systems. Heterogeneity of colloidal systems. Optical properties of colloids. Theory of light scattering. Molecular-kinetic properties. Brownian motion, diffusion, osmosis, and sedimentation. Adsorption-basic concepts. Electrokinetic phenomena and their application. Structure, stability and coagulation of colloids. Rheology of dispersed systems. Gels. Aerosols. Solid dispersions, emulsions and foams. Application of theory during laboratory and calculation exercises.
Alternate courses	ÚCHV/FKC1/99ÚCHV/FKC1/00
Recommended reading	Moore W. J.: Physical Chemistry. Longman, London 1972 Hiemenz P. C.: Principles of Colloid and Surface Chemistry. M.Dekker, New York, 1986 Atkins P. W.: Physical Chemistry. Oxford University Press, Oxford, New York, 2002

Title	Colloid Chemistry Practicals
Code	ÚCHV/FKC/00	Teacher	Markušová Kvetoslava
ECTS credits	3	Hrs/week	-/3
Assessment	Assessment	Semester	2
T/L method	Practical
Objective	To give an introduction to technically important applications of colloid and surface chemistry.
Content	Surface effects. Adsorption at interface of solid and liquid phases, determination of surface nature. Electrical properties. Stability and coagulation of colloids. Structure-mechanical properties of colloids. Properties and aggregation of surfactants and micelles. Rheological properties.
Alternate courses	ÚCHV/FKC/99
Recommended reading	Internal textbooks

Title	Methods of Chemical Research
Code	ÚCHV/MCV1/03	Teacher	Kladeková Daniela, Markušová Kvetoslava
ECTS credits	4	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To familiarise students with physicochemical parameters as a means of measurement, evaluation, and interpretation in the study of a process.
Content	Overview of basic principles of the determination of physicochemical quantities (dissociation constant, activity coefficient, solubility product, stability constant of complex, diffusion coefficient). Calorimetry and its utilisation. Experimental methods in kinetics. The Butler-Volmer equation. Survey of selected key topics in colloid chemistry. Adsorption-BET equation. A discussion of topics selected from active research fields.
Recommended reading	Moore, W.J.: Physical Chemistry. Longman Group Limited, London, 1972 Willard, H.H. et al.: Instrumental Methods of Analysis. Wadsworth, Belmont, 1988 Koryta, J., Dvořák, J., Kavan, L.: Principles of Electrochemistry. John Wiley & Sons, New York, 1993

Title	Special Seminar
Code	ÚCHV/VSE1b/04	Teacher
ECTS credits	2	Hrs/week	-/2
Assessment	Assessment	Semester	2
T/L method	Practical
Content	Actual problems of physical and analytical chemistry which are connected with the solution of the students theses.

Title	Modelling of Physicochemical Processes
Code	ÚCHV/FMP1/03	Teacher	Oriňáková Renáta, Markušová Kvetoslava
ECTS credits	4	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To teach students general principles of modelling and how to report the examples of mathematic models of basic physicochemical processes.
Content	Modelling and processes control. General principles of modelling. Examples of mathematical models of processes dynamics. Dynamic properties of processes. Dynamic characteristics of processes. Computational models.
Alternate courses	ÚCHV/FMP1/99 orÚCHV/FMP1/00 orÚCHV/FMP1/02

Title	Practical Chromatography
Code	ÚCHV/APC1/03	Teacher	Oriňák Andrej
ECTS credits	5	Hrs/week	2/2
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Content	Practical aspects of chromatographic instrumentation. Characterisation of HPLC functional composition, injector, column, detectors, data evaluation, errors. Instrumentation in GC, injector, columns, detectors, data evaluation.
Recommended reading	Dean, R.: A Practical Guide to the Care, Maintenance, and Troubleshooting of Capillary Gas Chromatographic Systems. Huthig, Heidelberg, 1991 Grob, K.: On-Line Coupled LC-GC. Huthig, Heidelberg 1991

Title	Water Pretreatment
Code	ÚCHV/ATV1/04	Teacher	Andruch Vasiľ
ECTS credits	6	Hrs/week	2/2
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To allow students to obtain and improve their knowledge of the methods of water pretreatment.
Content	Purification of waste waters from colloid substances. Purification of waste waters by chemical precipitation. Water degasing. Ion exchange purification of waste waters. Adsorption methods of waste water purification. Waste water purification via extraction. Waste water purification by membrane methods. Biological purification of water.
Prerequisite courses	ÚCHV/CHHS/07 or ÚCHV/ANCH1b/03
Recommended reading	Handbook of Water and Wastewater Treatment Technologies. Ed. By Nicholas P. Cheremisinoff, BUTTERWORTH HEINEMANN, 2001 Principles of Water Quality Control, Ed. by Thy Tebbutt, BUTTERWORTH HEINEMANN, 1997 Water Technology. Ed. by N. F. Gray, BUTTERWORTH HEINEMANN, 2005

Title	Analytical Sampling
Code	ÚCHV/AVZ1/02	Teacher	Oriňák Andrej
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Content	Analytical sample; characterisation. Sampling and norms affecting sampling process. Quantity, number of samples. Sampling techniques. Sampling laboratory equipment. Sample pre-concentration. Sample storing and conservation. Matrix simplifying; specific analysis. Chromatographic sample pre-treatment.
Alternate courses	ÚCHV/AVZ1/00
Recommended reading	O. Stoeppler: Sampling and Sample Preparation Practical Guide for Analytical Chemists

Title	Environmental Analytical Chemistry
Code	ÚCHV/AZP1/04	Teacher	Andruch Vasiľ
ECTS credits	6	Hrs/week	2/2
Assessment	Examination	Semester	3
T/L method	Lecture, Practical
Objective	To gain and improve student knowledge about the methods of environmental analysis
Content	Introduction. Sampling techniques and sample preparation in environmental analysis. Quality assurance for environmental analysis. Good laboratory practice. Chemometrics in environmental analysis. Analysis of water, sediments, air, etc. Analysis of environmental samples by spectroscopic methods. Separation techniques in environmental analysis. Application of electrochemical methods to environmental samples.
Prerequisite courses	ÚCHV/ANCHU/03 orÚCHV/ANCH1b/03 orÚCHV/ANCH3/03
Recommended reading	Ure A. M., Davidson C. M. Chemical Speciation in the Environment. Blackie, London 1995 John R. Dean: Extraction Methods for Environmental Analysis. Wiley, 1988 Environmental Analysis. Elsevier, 1993

Title	Corrosion and Surface Protection
Code	ÚCHV/FOCHP1/04	Teacher	Turoňová Andrea, Markušová Kvetoslava
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	3
T/L method	Lecture, Practical
Objective	To present the fundamentals of chemical and electrochemical degradation processes of metals, including specific types of corrosion and surface protection.
Content	Chemical corrosion of metals. Chemical and electrochemical degradation processes; specific forms of corrosion. Oxidic layers. Vanadic corrosion. Hydrogen corrosion. Chemical corrosion in nonelectrolytes. Electrochemical corrosion. Electrode potentials. Thermodynamics and kinetics of electrochemical corrosion. Corrosion influence on the quality and properties of the materials. Contact corrosion. Soil corrosion. Surface protection. Electrochemical protection. Corrosion properties of Cu, Al, Ti, Zn, Mg, Sn and Pb. Ecological aspects of corrosion and metal protection.

Title	Selected Chapters on Electrochemistry
Code	ÚCHV/FVE1/04	Teacher	Kladeková Daniela, Markušová Kvetoslava
ECTS credits	6	Hrs/week	2/2
Assessment	Examination	Semester	3
T/L method	Lecture, Practical
Objective	To provide students with basic knowledge of electric double layer theory and of the fundamentals of electrochemical kinetics.
Content	Equilibrium at electrified interfaces; classification of electric potentials. Electric double layer, electrocapillaric phenomena, capacity of the electric double layer, adsorption phenomena at the electrode/solution interface. Structure of the electrical double layer according to Helmholtz model, Gouy-Chapman model, Stern model, and jellium model. Colloid chemistry: interaction of double layers and stability of colloids. Fundamentals of electrochemical kinetic: the Butler-Volmer equation, charge transfer coefficient, heterogeneous rate constant, exchange current, transport processes and their influence on electrode kinetics. Galvanic cells (chemical and concentration). Electromotoric potential of the galvanic cell. Thermodynamics of the galvanic cell. Primary and secondary cells, examples of modern electric energy sources. Electrolytic deposites, their preparation and characteristic, adhesion. Electrolytic deposition of metals and semiconductors. Electrochemical preparation of non-conductive deposites. Conductive organic polymers: preparation and properties.
Recommended reading	A. J. Bard, L. R. Faulkner : Electrochemical Methods. Fundamentals and Applications, J. Wiley and Sons, New York 1980 J. O. M. Bockris, A. K. N. Reddy: Modern Electrochemistry, Macdonald, London 2002 B. B. Damaskin, O. A. Petrij : Vvedenie v elektrokhimicheskuyu kinetiku, Izd. Vysshaya škola, Moskva 1975 E. Scholz (Ed.), Electroanalytical Methods. Guide to Experiments and Applications, Springer Verlag, Berlin 2002

Elective courses

Title	Bioanalytical Chemistry
Code	ÚCHV/BACH1/03	Teacher	Reiffová Katarína, Bazeľ Yaroslav
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	1
T/L method	Lecture, Practical
Objective	To impart theoretical knowledge and to give practical experience to students about the application of analytical chemistry and analytical methods to clinical chemistry, clinical biochemistry, haematology, microbiology and immunology.
Content	Introduction to bioanalytical chemistry. Biological sample; classification. Sampling techniques, transport, sample storing and conservation. Selected methods of sample pre-treatment for bio- analysis. Conditions for analytical method selection. Presentation of analytical data evaluation. Optimisation of analytical procedure. Control and management of quality in clinical laboratory. Molecules colouring and their analytical applications. Enzymes in bioanalysis. Immunochemical methods.  Microbiological methods.  Analysis of biomolecules separation methods selection. Analytical technique of miniaturisation: principle, microchips, biosensors.
Recommended reading	Mikkelsen S. R, Cortón E.: Bioanalytical Chemistry, Wiley, 2004. Wilson I., Bioanalytical Separations 4, (Handbook of Analytical Separations), Elsevier, 2003

Title	Introduction to Material Chemistry
Code	ÚCHV/FUMCH1/03	Teacher	Oriňáková Renáta, Markušová Kvetoslava
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	1, 3
T/L method	Lecture, Practical
Objective	To present the different types of functional materials, their atomic structure and mechanical properties.
Content	Historical perspectives. Materials and human being. Participation of natural science in material engineering. Material revolutions. Classification of materials. Atomic structure and interatomic bonding. Amorphous and crystalline materials. Mechanics of materials. Imperfections in solids. Crystal lattice defects. Point defects. Line defects. Dislocations. Diffusion. Diffusion mechanisms. Deformations and failures, re-crystallisation. Deformations. Plastic deformations. Solid solutions. Intermediary phases. Phases in ceramic systems. Phase transformations. Crystallisation of metals. Phase identification methods. Stress and strain. Structure of metallic and ceramic materials. Alloys. Steel. Light metals. Metallic glasses. Gold. Inorganic non-metallic materials.  Ceramic construction materials.  Ceramic tools. Bio-ceramics. Ceramics in cosmos. High-temperature superconductors. Glass. Building binders. Polymers. Essence of polymers. Thermoplastics. Reactoplastics. Polymer structure. Mechanical properties of polymers. Natural materials. Wood. Bones. Teeth. Conchs and shells. Tectrices.
Recommended reading	W.D. Callister, Jr.: Fundamentals of Materials Science and Engineering, John Wiley & Sons, 2001

Title	Chemical Excursion
Code	ÚCHV/CHE2/03	Teacher	Györyová Katarína
ECTS credits	4	Hrs/week	-/1t
Assessment	Assessment	Semester	2
T/L method	Practical
Content	Visit to chemical factories in East Slovakia (Kerko, a.s. Košice - manufactury Michalovce, U.S. Steel s.r.o. - Košice, Vsl. stavebné hmoty, a.s. - Turňa nad Bodvou, Chemko, a.s. - Strážske, Kovohuty, a.s. Krompachy).

Title	Nuclear Chemistry
Code	ÚCHV/JCH1/04	Teacher	Turoňová Andrea, Markušová Kvetoslava
ECTS credits	4	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To provide students with knowledge of the basics of radioactivity and nuclear reactions, of preparation of the radionuclides and their use in technical practice, and of the biological effects of nuclear radiation.
Content	Fundamentals of nuclear chemistry. Elementary particles. Nuclear core. Nuclides and isotopes. Radioactivity and radioactive disintegration kinetics. Radioactive disintegration. Decay law. Half life period. Units of radioactivity. Nuclear reactions. Sources of nuclear radiation. Detection and registration of radiation. Nuclear chemical technology. Radioactive analytical methods. Isotopic dilution method, activation analysis. Biological effects of the nuclear radiation. Nuclear medicine. Nuclear power station.

Title	1D & 2D NMR Spectroscopy
Code	ÚCHV/NMR1/00	Teacher	Imrich Ján
ECTS credits	6	Hrs/week	2/3
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To teach students how to analyse the structure and properties of organic, inorganic and biomolecular compounds by 1D and 2D proton and carbon NMR spectra, quantitative NMR analysis, and practical applications in various fields of science and technology.
Content	Theoretical principles of nuclear magnetic resonance (NMR), basic NMR pulse techniques and Fourier transformation, NMR spectrometers, description of NMR by vector models. Parameters of one- (1D) and two-dimensional (2D) NMR spectra, practical application of 1H and 13C NMR spectra and basic correlated 2D spectra for structure and stereo chemical arrangement, elucidation of reaction mechanisms, molecular dynamics, physico-chemical properties and quantitative analysis of chemical compounds.
Alternate courses	ÚCHV/NMR1/99
Recommended reading	Friebolin H.: Basic One- and Two-Dimensional NMR Spectrocopy, Verlag Chemie, Weinheim 1993 T. D.W. Claridge: High-Resolution NMR Techniques in Organic Chemistry, Elsevier, 1999 Atta-ur-Rahman, M. I. Choudhary: Solving Problems with NMR spectroscopy, Academic Press 1996   H.-O. Kalinowski, S. Berger, S. Braun: Carbon-13 NMR Spectroscopy. Wiley, New York 1988 A. E. Derome: Modern NMR Techniques for Chemistry Research. Pergamon Press, Oxford 1987 E. Pretsch, B. Buhlmann, C. Affolter: Structure Determination of Organic Compounds. Tables of Spectral Data. Springer Verlag, Berlin 2000 E. Breitmaier: Vom NMR-Spektrum zur Strukturformel organischer Verbindungen. B. G. Teubner, Stuttgart 1992 E. Breitmaier, W. Voelter: Carbon-13 NMR Spectroscopy. VCH Weinheim, 1990

Title	Thermal Analysis
Code	ÚCHV/TA1/03	Teacher	Györyová Katarína
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	2
T/L method	Lecture, Practical
Objective	To provide students with knowledge of experimental thermoanalytical techniques, the use of thermoanalytic methods for characterisation of inorganic and organic compounds and reaction kinetics.
Content	Introduction: Experimental thermoanalytical techniques (thermogravi-metric analysis, differential thermal analysis, thermomagnetic techniques, thermodilatometric analysis, high temperature reflectance spectroscopy). The use of thermoanalytic methods for characterisation of inorganic and organic compounds, materials and pharmaceutical substances. Reaction kinetics.
Recommended reading	Wendlandt W. W.: Thermal Methods of Analysis, 2. vydanie, New York, 1985 Heide K.: Dynamische thermische Analysenmethoden, VEB Deutsch Verlag Wissenschaften, Leipzig, 1979

Study programme    Inorganic Chemistry

(Full-time master)

Code   Title   ECTS   Credit   Hours/week   Assessment   Recommended Year/Semester

Compulsory courses

ÚCHV/DPCO1a/00	Diploma Work	2	-/-	Recognition	1/1
ÚCHV/KCH1/00	Coordination Chemistry	5	2/1	Examination	1/1
ÚCHV/DPCO1b/00	Diploma Work	6	-/-	Recognition	1/2
ÚCHV/DPCO1c/03	Diploma Work	8	-/-	Recognition	2/3
ÚCHV/DPCO1d/03	Diploma Work	30	-/-	Recognition	2/4
ÚCHV/SDP/03	Seminar on Diploma Work	2	-/2	Assessment	2/4
ÚCHV/VKA/04	Selected Topics in Inorganic Chemistry	5	2/1	Examination	2/3

Compulsory elective courses

ÚCHV/STA1/03	Structure analysis	6	2/2	Examination	1/1
ÚCHV/HGS/03	Host-Guest and Supramolecular systems	4	2/-	Assessment	1/1
ÚCHV/KOC1/01	Quantum chemistry	5	3/1	Examination	1/1, 2/3
ÚCHV/SAZ1/03	Stereochemistry of Inorganic Compounds	4	-/3	Assessment	1/1, 2/3
ÚCHV/NPC1a/00	Seminar on Advanced Inorganic Chemistry	1	-/1	Assessment	1/1
ÚCHV/NPC2/02	Seminar on Advanced Inorganic Chemistry	1	-/1	Assessment	1/2
ÚCHV/JCH1/04	Nuclear chemistry	4	2/1	Examination	1/2
ÚCHV/AKO/03	Inorganic Polymers, Clusters and Organometallics	6	3/1	Examination	1/2
ÚCHV/TA1/03	Thermal Analysis	5	2/1	Examination
ÚCHV/ADP/03	Adsorption and Porosity of Solids	5	2/1	Assessment	1/2
ÚCHV/VMS1/03	Computing Methods in X-ray Structure Analysis	2	-/2	Assessment	1/2
ÚCHV/MAR1/04	Mechanisms of Inorganic Reactions	3	1/1	Assessment	1/2
ÚCHV/TOX1/03	Chemical Toxicology	5	2/1	Examination	2/3
ÚCHV/CTF1/00	Solid State Chemistry	5	2/1	Examination	2/3
ÚCHV/EMDP/03	Experimental Methods for Master’s Thesis	6	-/6	Assessment	2/3

Recommended elective courses

ÚCHV/SVK1/00	Student Scientific Conference	4	-/-	Assessment	1/2
ÚCHV/DPV1/03	History of Natural Sciences	5	2/1	Examination	1/1, 2/3
ÚCHV/CHE2/03	Chemical Excursion	4	-/1 w	Assessment	1/2, 2/4
ÚCHV/CMG/03	Chemical Management	3/-		Examination	1/1

Course units

Compulsory courses

Title	Diploma Work
Code	ÚCHV/DPCO1a/00	Teacher
ECTS credits	2	Hrs/week	-/-
Assessment	Recognition	Semester	1
Objective	To allow a student, under the guidance of supervisor, to learn the problems to be solved within diploma work, elaborates the plan of his/her experiments and starts the experimental work.
Content	Study of the recommended literature; literature search in the problems of diploma work; preparation and starting of experiments.
Recommended reading	According to the approved setting of diploma work.

Title	Coordination Chemistry
Code	ÚCHV/KCH1/00	Teacher	Černák Juraj, Chomič Jozef
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	1
T/L method	Lecture, Practical
Content	Central atoms and ligands. Bonding and electronic structure, crystal-field theory, weak-field and strong-field of ligands, ligand-field stabilisation energy, molecular orbital theory, sigma-bonding, pi-bonding, structures and symmetries of complexes. Classification of coordination compounds, coordination numbers, tetragonal and trigonal distorsion, Jahn-Teller effect, isomerism, spectral and magnetic properties of complexes.
Alternate courses	ÚCHV/KCH1/99
Recommended reading	S.F.A. Keetle: Physical Inorganic Chemistry. A Coordination Chemistry Approach. Oxford University Press, Oxford, 1998 D.F. Shriver, P. W. Atkins: Inorganic Chemistry, 4th Edition,Oxford University Press, Oxford, 2006

Title	Diploma Work
Code	ÚCHV/DPCO1b/00	Teacher
ECTS credits	6	Hrs/week	-/-
Assessment	Recognition	Semester	2
Objective	To have students perform the experiments required for diploma work.
Content	Individual experimental work of student and study of required literature.
Prerequisite courses	ÚCHV/DPCO1a/00
Automatic prerequisite courses	ÚCHV/DPCO1a/00
Recommended reading	According to the approved setting of diploma work and literature search.

Title	Diploma Work
Code	ÚCHV/DPCO1c/03	Teacher
ECTS credits	8	Hrs/week	-/-
Assessment	Recognition	Semester	3
Objective	To have students perform the experiments required for diploma work and to process their results.
Content	Individual experimental work of student and continuous processing of the obtained results.
Prerequisite courses	ÚCHV/DPCO1b/00
Recommended reading	According to the approved setting of diploma work and student’s own literature search.

Title	Diploma Work
Code	ÚCHV/DPCO1d/03	Teacher
ECTS credits	30	Hrs/week	-/-
Assessment	Recognition	Semester	4
Objective	To have students finish their experiments, process their results, and learn how to write a thesis.
Content	Finishing the student’s experimental work, processing of the obtained results and writing the diploma work.
Prerequisite courses	ÚCHV/DPCO1c/03
Recommended reading	According to the approved setting of diploma work and student’s own literature search.

Title	Seminar on Diploma Work
Code	ÚCHV/SDP/03	Teacher
ECTS credits	2	Hrs/week	-/2
Assessment	Assessment	Semester	4
T/L method	Practical
Objective	To teach the student to prepare a presentation of his/her own results, to respond to criticism, to participate in scientific discussion, and to fulfil formal requirements of written diploma work.
Content	Presentation of researched information and own experimental results; scientific discussions and writing of scientific text.
Recommended reading	According to field of diploma work.

Title	Selected Topics in Inorganic Chemistry
Code	ÚCHV/VKA/04	Teacher	Kuchár Juraj, Potočňák Ivan, Zeleňák Vladimír, Györyová Katarína, Černák Juraj, Reháková Mária, Chomič Jozef, Vargová Zuzana
ECTS credits	5	Hrs/week	2/1
Assessment	Examination	Semester	3
T/L method	Lecture, Practical
Objective	To acquaint students with the current state of research in inorganic chemistry.
Content	Cu-Zn heterobimetallic compounds: preparation, structure and properties. Biological and physicochemical properties of some zinc complex compounds with bioactive ligands. Pentacoordinated Copper (II) compounds: a trigonal bipyramid or a tetragonal pyramid? Structure, spectral and thermal properties of cyanoargentates. Hydrothermal synthesis in inorganic chemistry. Materials on the basis of inclusion compounds, their structure,   properties  and  application.
Recommended reading	Greenwood, N.N., Earnshaw, A.: Chemistry of the elements I and II, Pergamon Press N.Y., 1993 J. E. Huheey, E.A. Keiter, R.L. Keiter: Inorganic Chemistry: Principles of Structure and Reactivity (4th Edition, Addison-Wesley Pub Co, 4th edition, 1997

Compulsory elective courses

Title	Structure Analysis
Code	ÚCHV/STA1/03	Teacher	Černák Juraj
ECTS credits	6	Hrs/week	2/2
Assessment	Examination	Semester	1
T/L method	Lecture, Practical
Objective	To teach students about symmetry at the micro- and macrostructural level,  about diffraction methods used for crystal structure determination and how to use the results of the crystal structure analysis in their own work.
Content	Historical introduction: importance of diffraction methods. Origin and properties of x-rays. Elements of symmetry; space groups. Crystallographic systems; Bravais unit cells. Miller indices. Theory of diffraction; Laue and Bragg equations. Reciprocal space; Ewald construction. Single crystal diffraction methods; automatic diffractometers. Powder diffraction: Debye-Scherrer and diffractometric methods, their theory and use. Atomic factor, structure factor, electronic density and their relationship. The phase problem: overview of the methods for solving the phase problems. Refinement of the structure; geometric parameters. Crystallisation processes; methods of preparation of single crystals. Density. Basic inorganic structure types.
Recommended reading	Clegg W.: Crystal Structure Determination, Oxford University Press, 1998 Luger, P.: Modern X-ray Analysis on Single Crystals. Walter de Gruyter, Berlin, 1980

Title	Host-Guest and Supramolecular Systems
Code	ÚCHV/HGS/03	Teacher	Černák Juraj
ECTS credits	4	Hrs/week	2/-
Assessment	Assessment	Semester	1
T/L method	Lecture
Content	Clathate, inclusion compound, supramolecular systems. Water clathates, clathrates of urea and thiourea, Hofmann type clathates and their analogues, Werner-type clathates, calixarenes, crown-ethers, cryptates, possibilities for their practical use. From molecular to supramolecular chemistry, types and importance of weak interactions in supramolecular chemistry, crystal engineering.
Recommended reading	Beer P.D., Gale P.A., Smith D.K.: Supramolecular Chemistry, Oxford University Press, Oxford, 2003

Title	Quantum Chemistry
Code	ÚCHV/KOC1/01	Teacher	Danihel Ivan
ECTS credits	5	Hrs/week	3/1
Assessment	Examination	Semester	1, 3
T/L method	Lecture, Practical
Objective	To have students improve their knowledge in the field of valence-bond based on molecular orbital theory (MO) and individually to perform basic quantum chemical calculations (molecular geometry optimisation, transition states, vibrational analysis, etc.).
Content	Development of valence-bond theory. Time-independent Schrodinger equation. Basic approximations in molecular orbital valence-bond theory. Variant methods of calculation in the framework of molecular orbital valence-bond theory. Chemical reactivity. Potential energy hypersurfaces of molecules. Reaction coordinate. Calculation of absolute and relative equilibrium and rate constants in gas phase. Solvatation energy calculation.
Alternate courses	ÚCHV/KOC1/99 orÚCHV/KOC1/00
Recommended reading	Jensen F.: Introduction to Computational Chemistry, Wiley,2000 Leach A.R.: Molecular Modelling, Addison Wesley Longman Ltd. 1998 Náray-Szabó G., Surján P.R., Ángyán J.G.: Applied Quantum Chemistry, Akadémia Kiadó, Budapest, 1987