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Lecturer(s)
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Vinklárek Jaromír, prof. Ing. Dr.
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Course content
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unspecified
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Learning activities and teaching methods
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Monologic (reading, lecture, briefing), Dialogic (discussion, interview, brainstorming)
- Home preparation for classes
- 10 hours per semester
- Preparation for a final test
- 10 hours per semester
- Participation in classes
- 30 hours per semester
- Data/material collection
- 20 hours per semester
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Learning outcomes
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The aim of the subject is to provide a basis for the qualified use of quantum-chemical approaches and calculations. Doctoral students will learn to use theoretical and practical skills in solving problems in the areas of physical chemistry, spectroscopy, inorganic and organic chemistry using the methods of theoretical chemistry (energy and charge distribution, thermodynamic characteristics of chemical reactions, speed of chemical reactions, structure of molecules, ...). The practical part will be implemented on Spartan '02 and Gaussian '09 programs.
Students will acquire knowledge enabling the qualified use of quantum-chemical approaches and calculations.
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Prerequisites
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Corresponding knowledge of natural sciences.
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Assessment methods and criteria
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Oral examination, Written examination
Continuous control of studies during the semester is carried out in the form of 1 written work, the results of which are included in the overall classification.
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Recommended literature
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ATKINS, P. W. a R. S. FRIEDMAN. Molecular quantum mechanics. 5th ed. Oxford. 2011.
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SZABO, Attila a Neil S. OSTLUND. Modern quantum chemistry: introduction to advanced electronic structure theory. Mineola. 1996.
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WILSON, Stephen. Handbook of molecular physics and quantum chemistry. Chichester. 2003.
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