SubjectsSubjects(version: 950)
Course, academic year 2019/2020
Introduction to Molecular Physical Chemistry - S402038
Title: Introduction to Molecular Physical Chemistry
Guaranteed by: Department of Analytical Chemistry (402)
Faculty: Faculty of Chemical Engineering
Actual: from 2011 to 2019
Semester: winter
Points: winter s.:4
E-Credits: winter s.:4
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, Ex [HT]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Teaching methods: full-time
For type:  
Guarantor: Urban Štěpán prof. RNDr. CSc.
Examination dates   Schedule   
Syllabus - Czech
Last update: KNOBLOCL (12.03.2012)

1. Micro and macro world / classical and quantum mechanics. Challenges and discovers of science at the turn of 19th and 20th century.

2. Planck, Ritz, Einstein, Bohr, deBroglie, Heisenberg, Schrodinger: principles and postulates of quantum mechanics

3. Spin, principle of symmetry, Pauli principle, Boltzmano statistics, quantum statistics

4. Free particle and particle in potential well, quantum levels. Multidimensional well and quantum degeneration.

5. Tunnel effect, harmonic oscillator, diatomic molecule and Morsey oscillator, dissociation constant of molecules.

6. Movement moment in quantum mechanics and spin, rotation of molecules, electron at his orbit, hydrogen atom.

7. Multielectron atoms, periodic system. Electron configuration, Hund rules. From quantum mechanics to chemistry. Born, Oppenheimer and other simplifications.

8. Quantum chemistry, basics of chemical bond, bonding and anti-bonding orbitals.

9. Molecule bond strength, inter-molecular forces.

10. Movement of nuclei, rotation, vibration, molecular spectra, molecule partition function.

11. Magnetic and electric properties of molecules.

12. Electron spin and Pauli principle. Fine electron interaction of electrons and nuclei, ESR and NMR.

13. Thermodynamics and molecular quantum mechanics. Equilibrium constants.

14. Molecular dynamics.

Teaching methods
Activity Credits Hours
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 1 28
Příprava na zkoušku a její absolvování 1.5 42
Účast na seminářích 0.5 14
4 / 4 112 / 112
Coursework assessment
Form Significance
Examination test 50
Oral examination 50