Lehrstuhl für Theoretische Chemie

Teilprojekt P8 - Fracture in Polymer Composites: Meso to Macro (GRK2423 - P8) Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL) (GRK 2423 FRASCAL) Jan. 2, 2019 - Dec. 31, 2027 Fracture in Polymer Composites: Nano to Meso (GRK2423 - P3) Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL) (GRK 2423 FRASCAL) Jan. 2, 2019 - Dec. 31, 2027 Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL) (GRK 2423 FRASCAL) Jan. 1, 2019 - Dec. 31, 2027 A mechanistic Simulation study of the initial steps in the DNA Base Excision Repair System Oct. 1, 2022 - Sept. 30, 2025 Molecular dynamics simulations of SCALMS, SCILL and SILP: Specific interactions, cooperative effects, self-organisation, and catalytic mechanisms (M03) (SFB 1452 CLINT M03) Catalysis at Liquid Interfaces (CLINT) (SFB 1452 CLINT) Jan. 1, 2021 - Dec. 31, 2024 Atomistic investigations of catalysis at liquid interfaces by density-functional calculations (M01) (SFB 1452 CLINT M01) Catalysis at Liquid Interfaces (CLINT) (SFB 1452 CLINT) Jan. 1, 2021 - Dec. 31, 2024 Dispersion Effects on Reactivity and Chemo-, Regio- and Stereoselectivity in Organocatalysed Domino Reactions: A Joint Experimental and Theoretical Study SPP 1807: Control of London dispersion interactions in molecular chemistry Jan. 1, 2015 - Jan. 1, 2018 Theory (funCOS) FOR 1878: funCOS - Funktionale molekulare Strukturen auf komplexen Oxidoberflächen Aug. 1, 2013 - Aug. 1, 2016 SFB 953: Synthetic Carbon Allotropes (SFB 953) Jan. 1, 2012 - Jan. 1, 2015 Quantenchemische Untersuchungen zu Bildung, Struktur, Energie und elektronischen Eigenschaften von Carbinen, Fullerenen und Graphenen (C02) (SFB 953) SFB 953: Synthetic Carbon Allotropes (SFB 953) Jan. 1, 2012 - Jan. 1, 2015