staff – Computational Chemistry

New StaffAugust 3, 2026

Welcome to Srestha Choudhury who just started her PhD thesis with our group!
New PaperDecember 22, 2025

Our joint manuscript with the Schneider group (Göttingen) and the Krewald group (Darmstadt) "Evaluating Spin–Orbit Effects on the Thermochemistry of Proton-Coupled Electron Transfer" has just been accepted for publication in Inorganic Chemistry!
New PaperSeptember 26, 2025

Our joint manuscript with the Schneider group (Göttingen) and the Heinze group (Mainz) "Photocatalytic Hydrogenation of an N₂-Derived Re^V Imido Complex" has just been accepted for publication in JACS Au!
New PaperSeptember 17, 2025

Our joint manuscript with the Hadlington group (München) "The Path to an Open-Shell Metallo-Germylene: Direct Ligation, or Reduction and Metathesis?" has just been accepted for publication in Chemical Science!
TeachingApril 17, 2025

For organizational reasons, the lecture "Einführung in die Dichtefunktionaltheorie" will start on May 5^th 2025.
New PaperFebruary 12, 2025

Our joint manuscript with the Schneider group (Göttingen) "In Crystallo Wolff Rearrangement of a Metalated Diazoester: Structural Confirmation of the Singlet Carbene Wolff-Intermediate" has just been accepted for publication in the Journal of the American Chemical Society!