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Ruiz Group




PD Dr. María Belén Ruiz Ruiz

Summer Semester 2016

1. State-Examination Preparation Course of Inorganic Chemistry for Teaching High Education candidates:

General Information: Seminars, in collaboration with Dr. Anton Neubrand, for Secondary School Teacher students, 2 hours per week.
Place: Seminar Room A00.14, Institute of Inorganic Chemistry.

2. Laboratory of Analytical Chemistry

General Information: Seminars and Laboratory, in collaboration with Dr. Neubrand, for Secondary School Teacher students, 1 Week, everyday Seminars 9.00-10.30 and Laboratory, next dates September-October 2016.
Place: Laboratory 1st floor, Institute of Inorganic Chemistry

3. Praktikum für Gymnasianten: Chemie mit den Computer

Angaben: Unterrichtssprache Deutsch, für Gymnasialschüler, 9. Klasse Gymnasium. Eine Woche, Einführung in die Programmierung mit Fortran, Unix, und Anwendung quantenchemischer Molekülprogramme, 2-3 Schüler pro Jahr.
Ort: Bibliothek und Computerraum der Theoretischen Chemie TH1.805.

Specialization Courses

4. Advanced Mathematical Chemistry

General Information: Lecture, 2 hours per week, Ph.D., Master, Guest Students, Time by agreement.
Place: Library Th. 1.805

Contents: polar and elliptical coordinates, atomic orbitals, Legendre polynomials, spherical harmonics, angular momentum, spin, Schrödinger equation, atomic integrals, molecular integrals, quantum mechanical methods.

Language: German or English.

5. Theory of Spectra and Molecular Properties

General Information: Lecture, 2 hours per week, Ph.D., Master, Guest Students, Time by agreement.
Place: Library Th. 1.805

Language: German or English.

While the energy is the fundamental quantity, chemists usually are interested on other properties, for example, the dipole moment or the molecular structure. The ability to accurately calculate these properties is one of the major strengths of modern electronic structure theory. The course on Theory Spectra and Molecular Properties aims to provide basic quantum mechanical understanding of molecular rotations and vibrations, electronic transitions, electric, optical, and magnetic properties of molecules.

The course is directed to graduate and postgraduate students who have already absolved the obligatory courses on Theoretical Chemistry.


  • Istvan Mayer, Simple proofs, and derivations in quantum chemistry (Kluwer Academic Publishers), 2003.

  • Richard Stevenson, Multiplet structure of atoms and molecules (Saunders, Philadelphia & London), 1965.

  • Christian J. Cramer, Essentials of Computational Chemistry: Theories and Models. 2nd Edition (Wiley, 2004).

  • James B. Foresman and Aeleen Frisch, Exploring Chemistry with Electronic Structure Methods. A Guide to using Gaussian ,2nd Edition (Gaussian Inc., Pittsburgh 1996).