![]() | Hello, On Monday, April 28 after 5 pm, some of the university's information systems will be unavailable due to maintenance work. Affected systems are the Education Information System, Financial IS (iFIS), MIS/OBD/Verso, Kopla and related agendas. It is anticipated that everything should be back online and running by Tuesday morning. Work with e-mail or shared drives will not be affected. Computer center |
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This tutorial directly follows the course of quantum chemistry. The goal is to provide practically based knowledge of quantum chemistry. The tutorial is recommended to those who use molecular modelling during their research.
Last update: TAJ403 (13.12.2013)
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R: T. Engel: Quantum Chemistry and Spectroscopy, Prentice Hall, New York, 2010, 978-0-321-61504-6. Last update: Slavíček Petr (21.08.2013)
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1. Available Q-chem sofwtare 2. Molecular geometry, z-matrix 3. Graphical SW 4. Geometry optimization 5. Analysis of electronic wavefunction 6. Vibrational analysis 7. Thermodynamics of chemical reactions 8. Thermodynamics of chemical reactions 9. Activation energies 10. IR spectra, Raman spectra, rotationa spectra, optical activity 11. NMR spectroscopy 12. Excited state calculations I 13. Excited state calculations II 14. Reactions in solution Last update: TAJ403 (25.09.2013)
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http://www.vscht.cz/fch/cz/pomucky/kolafa/N403007.html Last update: Slavíček Petr (21.08.2013)
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Students will be able to:
Last update: TAJ403 (25.09.2013)
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Mathematics I, Physical Chemistry I Last update: Slavíček Petr (21.08.2013)
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Teaching methods | ||||
Activity | Credits | Hours | ||
Práce na individuálním projektu | 0.5 | 14 | ||
Účast na seminářích | 0.5 | 14 | ||
1 / 1 | 28 / 28 |
Coursework assessment | |
Form | Significance |
Regular attendance | 30 |
Report from individual projects | 70 |