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Excellence Initiative


 

Seminar

Tuesday, 16:00 Seminar Room S 8.109

 

19.04. 2016
Pradipta Kumar Samanta (Milestone Presentation)
Institute for Theoretical Chemistry, University of Stuttgart
Molecular properties using internally contracted multireference coupled-cluster methods

26.04. 2016
Prof. Dr. Marek Sierka
Friedrich Schiller Universität Jena
Simulations of low-dimensional materials: tools and applications

Entfällt!
04.05. 2016
PD Dr. Klaus Doll
Institute for Theoretical Chemistry, University of Stuttgart
Solids, Surfaces and Software: ab initio Results and Method Development

24.05. 2016
Benjamin Ziegler
Institute for Theoretical Chemistry, University of Stuttgart
Fitting of high-dimensional potential energy surfaces: the advantage of direct product representations

31.05. 2016
Dr. Thanja Lamberts
Institute for Theoretical Chemistry, University of Stuttgart
Towards accurate tunneling rates on a surface; A case study of H + H2O2 → H2O + OH

07.06. 2016
Dr. Lei Song
Institute for Theoretical Chemistry, University of Stuttgart
Formation of the probiotic molecule NH2CHO on the astronomical amorphous solid water surface: an accurate  tunneling rate calculation.

14.06. 2016
Dr. David Coughtrie
Institute for Theoretical Chemistry, University of Stuttgart
"Comparison of Regional Electronic Structure Methods"

21.06. 2016
Dr. Sean McConnell
Institute for Theoretical Chemistry, University of Stuttgart
Tunneling rates in the semiclassical instanton theory:
reducing effort and predicting rates above the critical temperature.

27.06.2016
Max Markmeyer
14:00!
Institute for Theoretical Chemistry, University of Stuttgart
Calculation of Reaction Rates for Substituted Phenyl Isomerisation Reactions

28.06. 2016
Dr. Romain Garnier
HiePACS, Inria Bordeaux, Sud-Ouest
Adaptive configuration interaction: a posteriori error estimation to efficiently compute anharmonic IR spectra

18.07. 2016
Julian Zeller
14:00!
Institute for Theoretical Chemistry, University of Stuttgart
"Reaktionsraten und Kinetische Isotopeneffekte bei der Wasserstoff-Abspaltungsreaktion von Methanol berechnet mit der Instantonmethode"