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Lecturer(s)
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Berka Karel, doc. RNDr. Ph.D.
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Řezáč Jan, doc. RNDr. Ph.D.
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Course content
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The course shows the way from the basic theoretical concepts of quantum mechanics and statistical thermodynamics, through computational methods based on them, to their practical implications in (physical) chemistry. The lectures cover the following topics: From quantum mechanics to the principle of chemical bonding: every chemist should know what chemical bonding is From theory to practical computational methods: quantum chemistry, empirical models, machine learning Quantum mechanics of nuclei: theory of molecular vibrations and connections with vibrational spectroscopy Non-covalent interactions: theory and computation of multi-molecule systems Statistical thermodynamics: from calculations of single molecule properties to macroscopic systems Excited states: quantum mechanics in photochemistry and UV/VIS spectroscopy The topics are not discussed in depth as in specialized courses, but the aim is to provide a broader overview and connections between theory and experimental chemistry, and to show the possibilities and limitations of computational chemistry and computer modeling in chemistry.
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Learning activities and teaching methods
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Monologic Lecture(Interpretation, Training)
- Preparation for the Exam
- 60 hours per semester
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Learning outcomes
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The course developes basic principles of physical chemistry tought in "Physical Chemistry I " and "Physical Chemistry II".
ability to define main concepts, describe basic principles, bases of kinetics, explain spectroscopic methods
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Prerequisites
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unspecified
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Assessment methods and criteria
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Oral exam
Attendance is not obligatory but is strongly recommended. Examination is oral. Students sitting the examinations should be able to discuss two chosen questions.
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Recommended literature
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1. R. Brdička, J. Dvořák :. (1977). Základy fysikální chemie,. Academia Praha.
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2. W. J. Moore :. (1981). Fyzikální chemie. SNTL Praha.
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3. Atkins, P.W.:. (1999). Fyzikálná chémia. STU Bratislava.
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4. P. Atkins :. (1996). Elements of Physical chemistry. Oxford University Press.
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5. Ott, J.B., Boerio-Goates, J. (2000). Chemical Thermodynamics ? Principles and Applicatons,. Academic Press, London.
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7. Mollin, J. (1989). Fyzikální chemie I. skripta, fakulta přírodovědecká UP Olomouc.
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8. Mollin, J. (1989). Fyzikální chemie II. skripta, fakulta přírodovědecká UP Olomouc.
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9. Laidler, K.J. (1993). The World of Physical Chemistry. , Oxford Univ. Press.
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