Oct 16, 2019   1:49 p.m. Vladimíra
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Course syllabus N428T0_4D - Theory of Intermolecular Interactions (FCFT - 2018/2019 - post-graduate studies)

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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: N428T0_4D
Course unit title: Theory of Intermolecular Interactions
Mode of delivery, planned learning activities and teaching methods:
lecture2 hours weekly (on-site method)

Credits allocated: 3
Recommended semester/trimester: Chemical Physics - doctoral (optional), 1. year
Level of study: 3.
Prerequisites for registration: none
Assesment methods:
The student must pass a examination. The notation is defined by the currently valid study regulations at the Slovak University of Technology in Bratislava.
Learning outcomes of the course unit:
The student will acquire advanced knowledge on the interaction energy calculation methods, on the calculation of the optimal geometries and fundamental spectroscopic properties of small van der Waals complexes. She/he is learned to apply computational methods to solve simple chemical problems.
Course contents:
Quantum chemical calculations of interaction energies and the study of the spectroscopic and transport properties of real gases.
Recommended or required reading:
LUKEŠ, V. Aplikácia diagramatických mnohočasticových teórií na štúdium slabých medzimolekulových interakcií. Habilitation thesis. Bratislava : FCHPT STU, 2003. 41 p.
LUKEŠ, V. Aplikácia mnohočasticovej poruchovej teórie na štúdium medzimolekulových interakcií: Obh. 12.6.1995. Diploma thesis. Bratislava : FCHPT STU, 1995. 87 p.
LUKEŠ, V. -- ILČIN, M. -- LAURINC, V. -- KLEIN, E. Počítačové modelovanie molekúl – Metódy počítačovej chémie. Bratislava: Nakladateľstvo STU , 2011. 291 p. ISBN 978-80-227-3456-1.
ATKINS, P W. -- FRIEDMAN, R. Molecular quantum mechanics. Oxford : Oxford University Press, 1997. 545 p. ISBN 0-19-855947-X.
FRIEDMAN, R S. -- ATKINS, P W. Molecular Quantum Mechanics. Oxford: Oxford Univ. Press, 1997.
HOBZA, P. -- ZAHRADNÍK, R. Intermolecular Complexes. The Role of van der Waals Systems in Physical Chemistry and in the Biodisciplines. Praha : Academia, 1988. 307 p.
HOBZA, P. -- ZAHRADNÍK, R. Mezimolekulové komplexy: Úloha van der Waalsových systému ve fyzikaální chemii a v biodisciplínách. Praha : Academia, 1988. 288 p.

Language of instruction: slovak or english
Courses evaluation:
Assessed students in total: 3

100,0 %0 %
Name of lecturer(s): prof. Ing. Vladimír Lukeš, DrSc. (person responsible for course) - slovak, english
Last modification: 27. 8. 2018
Supervisor: prof. Ing. Vladimír Lukeš, DrSc. and programme supervisor

Last modification made by Ing. Tomáš Molnár on 08/27/2018.

Type of output: