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Lecturer(s)
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Čičmanec Pavel, doc. Ing. Ph.D.
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Bureš Filip, prof. Ing. Ph.D.
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Pařík Patrik, Ing. Ph.D.
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Tydlitát Jiří, Ing. Ph.D.
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Schwarz Jiří, Ing. Ph.D.
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Course content
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In the 13th week of the semester, the following issues are addressed. Week 1 Excel Week 2 Excel Week 3 Origin Week 4 Origin Week 5 Maple Week 6 Maple Week 7 Maple 8th week Chemical drawing programs ChemDraw and ChemSketch 9th week Chemical drawing programs ChemDraw and ChemSketch 10th week Visualization and drawing program OPChem 11th week Visualization and drawing program OPChem 12th week Statistical program Opstat 13th week Software for processing NMR data - TopSpin and software for processing MS spectra - Xcalibur
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Learning activities and teaching methods
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Monologic (reading, lecture, briefing), Skills training
- Participation in classes
- 26 hours per semester
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Learning outcomes
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Teach students to effectively utilize applications for analysis and interpretation of data in the field of chemistry.
Excel: Data manipulation, analysis and visualization using tables, formulas, graphs and pivot tables. OriginPro/OriginLab: Advanced data analysis, curve fitting and graphs. Maple: Math problem solving, algebraic manipulation and equation solving. Numerical simulations and mathematical modeling. ChemDraw and ChemSketch: Drawing and visualization of chemical structure. Representation of organic and inorganic molecules. OPChem: Visualization of molecules and calculation of some physico-chemical properties from experimental data. OP Stat: Mathematical and statistical calculations TopSpin: NMR (nuclear magnetic resonance) data processing and spectral analysis. Xcalibur: Analysis of mass spectrometry data.
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Prerequisites
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Successful completion of the course Fundamentals of Information Technology (C605).
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Assessment methods and criteria
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Home assignment evaluation, Systematic monitoring
Basic computer and chemistry skills.
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Recommended literature
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