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Course, academic year 2023/2024
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Proseminar of Quantum Chemistry - NBCM351
Title: Proseminář kvantové chemie
Guaranteed by: Institute of Physics of Charles University (32-FUUK)
Faculty: Faculty of Mathematics and Physics
Actual: from 2020
Semester: both
E-Credits: 4
Hours per week, examination: 1/2, C [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
Note: you can enroll for the course in winter and in summer semester
Guarantor: RNDr. Václav Profant, Ph.D.
Pre-requisite : NOFY127
Annotation -
The seminar is intended for practical acquaintance with the basics of quantum chemical calculations. Suitable for students bachelor's and subsequent master's studies with knowledge at the level of the course Introduction to Quantum Mechanics (NOFY027). Particularly suitable as a supplement to the lecture Quantum Theory of Molecules (NBCM039).
Last update: Procházka Marek, prof. RNDr., Ph.D. (14.05.2020)
Aim of the course - Czech

Získání základního přehledu v oblasti kvantové výpočetní chemie. Praktické seznámení s výpočty molekulových vlastností prostřednictvím dostupných programů.

Last update: Procházka Marek, prof. RNDr., Ph.D. (30.04.2020)
Course completion requirements -

Credit. The condition for obtaining the credit is 70% participation and elaboration of the credit project.

Last update: Profant Václav, RNDr., Ph.D. (23.09.2021)
Teaching methods - Czech

Seminář. Praktická cvičení.

Last update: Procházka Marek, prof. RNDr., Ph.D. (30.04.2020)
Syllabus -

Description of the structure of molecules (Z-matrix), Principles of quantum chemical calculations, Areas of potential energy, Calculations of properties of atoms and molecules.

Last update: Procházka Marek, prof. RNDr., Ph.D. (14.05.2020)
 
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