Infopaket

Quantum chemistry

ОК.24

Обов’язкова дисципліна для ОП

First

2023/2024

6 Semester

4

P02. Understand the basics of mathematics at a level sufficient to achieve the other learning outcomes provided for in this standard and the curriculum. 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, display and modeling of chemical systems and processes, processing of experimental data. P16. Perform computer calculations relevant to chemical problems using standard and specialized software, skills in analysis and display of results. P18. Demonstrate knowledge and understanding of basic facts, concepts, principles and theories in chemistry.

Full-time form

Know the basics of physics and chemistry, as well as possess the necessary mathematical apparatus, including integration and differentiation.

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 language