May 24, 2019   4:06 a.m. Ela
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Course syllabus 445K0_4D - Quantum Theory of Molecules (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: 445K0_4D
Course unit title: Quantum Theory of Molecules
Mode of delivery, planned learning activities and teaching methods:
lecture5 hours weekly (on-site method)

 
Credits allocated: 6
 
Recommended semester/trimester: Chemical Physics - doctoral (semi-compulsory), 1. year
Level of study: 3.
Prerequisites for registration: none
 
Assesment methods:
The notation is defined by the currently valid study regulations at the Slovak University of Technology in Bratislava.
 
Learning outcomes of the course unit:
To teach the students to work with a selected quantum-chemical software and to use the calculation results.
 
Course contents:
Quantum chemistry methods.
Correlation energy.
AO bases, population analysis.
Experimental data interpretation.
Software use.
 
Recommended or required reading:
Basic:
BOČA, R. -- BISKUPIČ, S. Kvantová teória chemickej väzby a chemickej štruktúry. Bratislava: Nakladateľstvo STU, 2011. 341 p. ISBN 978-80-227-3505-6.
REMKO, M. Molekulové modelovanie: Princípy a aplikácie. Bratislava : SAP-Slovak Academic Press, 2000. 239 p. ISBN 80-88908-62-0.

Recommended:
URBAN, M. -- ČÁRSKY, P. Ab initio výpočty v chemii. Praha : SNTL, 1985. 279 p.
BOČA, R. -- PELIKÁN, P. Kvantová chémia koordinačných zlúčenín. Bratislava : Veda, 1987. 432 p.
KVASNIČKA, V. -- BISKUPIČ, S. Diagramatické metódy v kvantovej teórii molekúl. Bratislava : Veda, 1987. 260 p.
SKÁLA, L. Úvod do kvantové mechaniky. Praha : Academia, 2005. 281 p. ISBN 80-200-1316-4.
PIŠÚT, J. -- ČERNÝ, V. -- GOMOLČÁK, L. Úvod do kvantovej mechaniky. Bratislava : Alfa, 1983. 549 p.
PIŠÚT, J. -- ČERNÝ, V. -- PREŠNAJDER, P. Zbierka úloh z kvantovej mechaniky. Bratislava : Alfa, 1985. 366 p.
LEWARS, E. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics. Boston : Kluwer Academic Publishers, 2003. 471 p. ISBN 1-4020-7422-0.
ATKINS, P W. -- FRIEDMAN, R. Molecular Quantum Mechanics. Oxford : Oxford University Press, 2003. 545 p. ISBN 0-19-855947-X.
FLÜGGE, S. Practical quantum mechanics. Berlin : Springer Verlag, 1999. 287 p. ISBN 3-540-65035-0.

 
Language of instruction: slovak or english
 
Notes:
 
Courses evaluation:
Assessed students in total: 13

PN
100,0 %0 %
Name of lecturer(s): doc. Ing. Martin Breza, CSc. (person responsible for course) - slovak, english
 
Last modification: 27. 8. 2018
Supervisor: doc. Ing. Martin Breza, CSc. and programme supervisor


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

Type of output: