Marianne Engeser

31PUBLICATIONS
61CO-AUTHORS
Characterisation of biological macromoleculesRadiation and matterOrganometallic chemistryOptical properties of materialsTheoretical quantum chemistry
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Publications (31)

|Sep 14, 2026
Automated Classification and Representation of sp2-sp2 Atropisomers in the MolBar Identifier.

|Sep 10, 2026
Time-resolved investigation of photocatalytic allene deracemization with kinetic modeling and force-field-based molecular dynamics.

|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 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

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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