IMPRS

Prof. De. Stefan Grimme

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Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry

[Universität Bonn]

Research areas: Quantum Chemistry for Large Molecules, Development and Implementation of DFT and WFT Electronic Structure Methods, Dispersion Corrections (DFT-D), Non-Covalent Interactions, SCS-Methods, Excited States and Electronic Spectroscopy, Computational Chemistry

http://www.math-nat-fakultaet.uni-bonn.de/Wob/images/33630625.pdf  promotion regulations at the faculty of mathematics and natural sciences

 

The main theme in our theoretical group is the development and application of quantum chemical methods 
for large molecules and molecular crystals. Mostly dispersion-corrected density functional methods are
are used for structure prediction, exploration of chemical reaction
mechanisms, and calculations of spectral properties. In this context electronic spectra (UV/ECD) and 
recently electron impact mass spectrometry (EI-MS) are main areas of research.

 

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3rd IMPRS-RECHARGE Conference

Exploring Reactivity with Spectroscopy
May 19th-21st, 2021
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E-Mail: imprs(at)cec.mpg.de
Internet: imprs.cec.mpg.de

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