This lecture covers the theoretical and conceptual foundations of quantum dynamics in molecular systems. Particular attention is taken to derive and compare quantum and classical approximations which can be used to simulate the dynamics of molecular systems and the reaction rate constant used in chemical kinetics.

Postulates of quantum mechanics, operator algebra, Schrödinger's equation, state functions and expectation values, matrix representation of operators, particle in a box, tunneling, harmonic oscillator, molecular vibrations, angular momentum and spin, generalised Pauli principle, perturbation theory, electronic structure of atoms and molecules, Born-Oppenheimer approximation.

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Seminar series covering current developments in Physical Chemistry

Foundations of chemical thermodynamics: Entropy, chemical thermodynamics, laws of thermodynamics, partition functions, chemical reactions, reaction free energies, equilibrium conditions, chemical potential, standard states, ideal and real systems and gases, phase equilibria, colligative properties, with applications to current research at the ETHZ.

Introduction to Chemical Reaction Kinetics. Fundamental concepts: rate laws, elementary reactions and composite reactions, molecularity, reaction order. Experimental methods in reaction kinetics. Simple chemical reaction rate theories. Reaction mechanisms and complex kinetic systems, chain reactions. Homogeneous catalysis and enzyme kinetics.

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Laboratory experiments to acquire a profound knowledge of spectroscopical methods and techniques in chemistry. Evaluation and visualization of measurement data. Writing lab reports.

Seminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)