Introductory overview of physical chemistry: breakdown of classical physics, black body radiation, photoelectric effect, models of atoms. Quantum mechanics: uncertainty principle, postulates, basic theorems, particle in a box, harmonic oscillator. Quantum chemistry: hydrogen atom, atomic orbitals, spin, manyelectron atoms, SCF, Pauli principle; atomic spectra, BornOppenheimer approximation, variation principle, HeitlerLondon approach, molecular orbital approach, correlation diagram, hybridization, ?electron theory (HMO), electronic structure of crystals, ligandfield theory, Molecular spectroscopy: interaction of matter and radiation; absorption, emission and scattering; selection rules, experimental spectroscopic techniques, molecular rotations and rotation spectra, molecular vibrations, rotational structure of bands, IR spectra, electronic spectra, vibronic transitions, FranckCondon principle, luminescence, lasers, photoelectron spectra, magnetic resonances, NMR and EPR, Thermodynamics: properties of gases, ideal and real gases, equations of state kinetic theory of gases, molecular velocoties and speeds, collisions, statistical mechanics, Boltzmann distribution, partition functions, thermodynamics and temperature, thermometry. First law: internal energy, heat, work, enthalpy, reaction enthalpies, thermochemistry, temperature dependence of reaction enthalpies. Second law: concept of entropy, Gibbs function.
LEARNING OUTCOMES:
1. Explain breakdown of classical physics: photoelectrical effect, atomic spectra, and black body radiation.
2. Specify and explain postulates of quantum mechanics.
3. Apply postulates of quantum mechanics, write out Schrödinger equations, explain and compare solutions for following systems: particle in one dimensional box, free particle, particle in rectangular well, particle in three dimensional box, quantum mechanical harmonic oscillator.
4. Write out Schrödinger equation for hydrogen atom and hydrogenlike atoms. Explain and compare solutions and effects in many electron atoms.
5. Write out Schrödinger equation for molecules, explain BornOppenheimer approximation and variational principle. Define molecular orbitals, hybridization and ligand field theory.
6. Explain absorption, stimulated and spontaneous emission as well as scattering of electromagnetic radiation.
7. Explain and associate phenomena in rotational, vibrational, electronic, EPR and NMR spectra with structure and properties of molecules.
8. Explain properties of ideal and real gases, equations of states and kinetic theory of gases, Boltzmann low and partition functions.
9. Specify and explain first and the second law of thermodynamics.
10. Define and explain internal energy, heat, work, enthalpy, extent of reaction, Gibbs free energy and entropy.
11. Present adequate skills in technical writing and oral presentations.

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