Marianne Engeser

29PUBLICATIONS
61CO-AUTHORS
Organometallic chemistryOptical properties of materialsReaction engineering (excl. nuclear reactions)Theoretical quantum chemistryComputational chemistry
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Publications (29)

|May 30, 2026
Photochemical Deracemization of Aza-1-isoindolinones: Critical Influence of Catalyst Substitution and the Nature of Its Resting State.

|May 04, 2026
Photovermellogens: Minimalistic Pyridinium-Based Acylhydrazones with Photoswitchable Basicity for Operation in Aqueous Media.

|Sep 09, 2025
Correction to "Photochemical Deracemization of 4,7-Diaza-1-isoindolinones by Unidirectional Hydrogen Atom Shuttling".

Philip Freund, Mike Pauls, Daria Babushkina

|Sep 02, 2025
On the performance of DFT/MRCI for singlet-triplet gaps and emission energies of thermally activated delayed fluorescence molecules.

Mike Pauls, Thomas Froitzheim, Alexei Torgashov

|Aug 19, 2025
An Automated Intermolecular Reaction Discovery Approach Relying on Heuristic Atom-Partitioned Frontier Orbital Features.

Ying Chen, Christoph Bannwarth

|Jul 15, 2025
Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification.

Pit Steinbach, Christoph Bannwarth

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Frequent Collaborators

8 joint publications

Mike Pauls

7 joint publications

Thorsten Bach

5 joint publications

Stefan Grimme

5 joint publications

Todd J Martínez