CRC 858 Z01 - Computational Chemistry (Theory and Modeling of Cooperativity in Chemical Systems)
Basic data for this project
Type of project: Subproject in DFG-joint project hosted at University of Münster
Duration at the University of Münster: 01/01/2018 - 31/12/2021 | 3rd Funding period
Description
Identification, analysis, and quantification of synergistic effects are the main topics of this project. In close collaboration with experiment, we investigate questions related to cooperativity in several branches of chemistry. This includes studies on interactions in catalysis and reactivity, magnetic couplings in crystalline organic radicals, the influence of metal surfaces on reacting compounds, and interactions in and among biomolecules, such as protein-protein or protein-membrane interactions. An integral part of this theory project is the development of the necessary methods and analysis tools for investigations of cooperativity in chemistry, e.g. methods based on fragmentation and partitioning.
Keywords: Allgemeine Chemie; Theoretische Chemie
Funding identifier: SFB 858/3
Funder / funding scheme:
- DFG - Collaborative Research Centre (SFB)
Project management at the University of Münster
| Doltsinis, Nikos | Professur für Festkörpertheorie (Prof. Doltsinis) |
| Heuer, Andreas | Professorship of Theory of Complex Systems |
| Mück-Lichtenfeld, Christian | Professur für Theoretische Organische Chemie (Prof. Neugebauer) |
| Neugebauer, Johannes | Professur für Theoretische Organische Chemie (Prof. Neugebauer) |
Applicants from the University of Münster
| Doltsinis, Nikos | Professur für Festkörpertheorie (Prof. Doltsinis) |
| Heuer, Andreas | Professorship of Theory of Complex Systems |
| Mück-Lichtenfeld, Christian | Professur für Theoretische Organische Chemie (Prof. Neugebauer) |
| Neugebauer, Johannes | Professur für Theoretische Organische Chemie (Prof. Neugebauer) |