Infopaket

Quantum chemistry

ОК.25

Обов’язкова дисципліна для ОП

First

2021/2022

6 Semester

4

P01. Understand key chemical concepts, basic facts, concepts, principles and theories related to natural and life sciences and earth sciences, as well as chemical technologies at a level sufficient for their application in professional activities and to provide an opportunity to further deeply understand specialized areas of chemistry . P05. Understand the relationship between the structure and properties of substances P07. Apply the basic principles of quantum mechanics to describe the structure of atoms, molecules and chemical bonds. P15. Ability to use acquired knowledge and skills for calculations, mapping and modeling of chemical systems and processes, processing of experimental data P18. Demonstrate knowledge and understanding of basic facts, concepts, principles and theories in chemistry

Full-time form

Students must have basic knowledge of university courses in higher mathematics (Calculus&Calculus_2), basics of physics, statistical methods in chemistry (probability theory), crystal chemistry at the bachelor's level.

The main approaches to the quantum chemical description of systems and the use of the appropriate mathematical apparatus are presented. The theory of chemical bonding for di- and polyatomic molecules is considered. The application of the theory of symmetry with elements of group theory for the interpretation of chemical bonds in polyatomic molecules is shown.

1. Yatsymirsky V.K., Yatsymirsky A.V. Quantum chemistry. - K.: Kyiv University Publishing and Printing Center, 2009.-479 p. 2. Von I. Hargittai und M. Hargittai. Symmetry through the Eyes of a Chemist. Weinheim. VCH Verlagsgesellschaft, 1986. - 448 p. 3. J. N. Murrell, S. F. A. Kettle, and J. M. Tedder: Valence Theory. London, New York, Sydney, John Wiley and Sons, 1965. - 416 pp. 4. Peter Atkins, Julio de Paula Atkins' Physical Chemistry. 8th Edition. New-York: ‎W. H. Freeman and Company, 2006, 1072 p. (ISBN: 0-7167-8759-8) 5. Hochstrasser, Robin M. Molecular Aspects of Symmetry. Published by W. A. Benjamin, NYC,- 1966. - 355 p.

Lectures, Practical classes

Semester control includes work in practical classes, including oral examinations, tests and surveys on the topics of tests. Evaluation is carried out on a 100-point system. The maximum / minimum number of points that can be obtained by a student during the semester assessment is 100 points / 60 points.

Ukrainian