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ECP Pseudopotentials

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Excellence Initiative


 

Seminar

Tuesday, 16:00 Seminar Room S 8.109

 

04.10. 2016
Rigoberto Hernandez
Johns Hopkins University, Baltimore

"Coarse-graining solvent structure using stochastic hard collision (SHC) dynamics"

02.11. 2016
Florian Bauer
Institute for Theoretical Chemistry, University of Stuttgart
"Theoretical Investigation of a Cloke-Wilson Rearrangement with a Photoactive Fe-Nitrosyl-Catalyst:Kinetic Considerations and Extension to Different Reaction Systems"

15.11. 2016
Dr. Klaus Doll
Institute for Theoretical Chemistry, University of Stuttgart
"Solids, Surfaces and Software: ab initio Results and Method Development"

29.11. 2016
PD Dr. Ralf Tonner
Fachbereich Chemie, Philipps-Universität Marburg
"Organic functionalization of semiconductors - concepts from computational chemistry"

06.12. 2016
Alexander Denzel
Institute for Theoretical Chemistry, University of Stuttgart
"Implementation and Improvement of the Small-Curvature Tunneling Method"

17.01. 2017
Dr. Peter Nagy
Department of Chemistry and Materials Science, Budapest University of Technology and Economics
Efficient fragmentation-based local coupled cluster approaches

24.01. 2017
Dr. Janus Eriksen
Institut f. Physikalische Chemie, University of Mainz
"Convergence of coupled cluster perturbation theory"