Wolfgang Domcke

Technical University of Munich — Germany

Physics and Astronomy · Physical Sciences

91h-index30.9kcitations522works1.02yr avg
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Research Topics

Advanced Chemical Physics Studies(304), Spectroscopy and Quantum Chemical Studies(232), Photochemistry and Electron Transfer Studies(168), Atomic and Molecular Physics(80), Spectroscopy and Laser Applications(60)

Publications522 total

New Heptazines Bearing Strongly Electron-Donating Substituents with Quasidegenerate Singlet and Triplet Excited States: An Experimental and Computational Study
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
Computational Design of B,N‐Substituted Graphene Ribbons Exhibiting S <sub>1</sub> and T <sub>1</sub> States with Near‐Degeneracy and High Oscillator Strengths
ChemPhysChem·2025Open Access
Simulation of Pump–Push Molecular Dynamics in the Heptazine–H<sub>2</sub>O Complex
The Journal of Physical Chemistry Letters·2025
New heptazines bearing strongly electron-donating substituents with quasi-degenerate singlet and triplet excited states: an experimental and computational study
2025Open Access
Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex
arXiv (Cornell University)·2025Open Access
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories
Wiley Interdisciplinary Reviews Computational Molecular Science·2025· 7 citedOpen Access
Computational design of B,N-substituted graphene ribbons exhibiting quasi-degenerate S1 and T1 states and high fluorescence rates
2025Open Access
Imaging the Photochemistry of the Hydrogen-Bonded Heptazine–Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
The Journal of Physical Chemistry A·2025· 2 cited
New heptazines bearing strongly electron-donating substituents with quasi-degenerate singlet and triplet excited states: an experimental and computational study
2025Open Access
Imaging the Photochemistry of the Hydrogen-Bonded Heptazine-Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
arXiv (Cornell University)·2024Open Access
Local Hydrogen Bonding Determines Branching Pathways in Intermolecular Heptazine Photochemistry
The Journal of Physical Chemistry B·2023· 8 cited
Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: <i>Ab Initio</i> Simulations Using the Quasiclassical Doorway–Window Approximation
The Journal of Physical Chemistry Letters·2023· 10 cited
Excited-state singlet-triplet inversion in hexagonal aromatic and heteroaromatic compounds
2023Open Access
Reduction of CO<sub>2</sub> with Hydrated Electrons: Ab Initio Computational Studies for Finite-Size Cluster Models
The Journal of Physical Chemistry A·2023· 5 cited
Excited-state singlet–triplet inversion in hexagonal aromatic and heteroaromatic compounds
Physical Chemistry Chemical Physics·2023· 21 cited
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and <i>N</i>-Wave-Mixing Signals
Chemical Reviews·2022· 56 cited
Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical
The Journal of Physical Chemistry A·2022· 5 cited
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective
The Journal of Physical Chemistry B·2022· 8 cited
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective
arXiv (Cornell University)·2022· 3 citedOpen Access
On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution
Physical Chemistry Chemical Physics·2022· 6 cited
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Frequent Co-authors

Andrzej L. Sobolewski(26), Lorenz S. Cederbaum(15), Horst Köppel(6), J. Schirmer(5), W. von Niessen(5), Serhiy Perun(4), Clemens Woywod(3), David R. Yarkony(2), Gerhard Stock(2), H. Köuppel(1), C. Dedonder‐Lardeux(1), Christophe Jouvet(1), Thomas Schultz(1), Elena Samoylova(1), W. Radloff(1), I. V. Hertel(1), Christof Hättig(1), M. Seel(1), Geerd H. F. Diercksen(1), W.P. Kraemer(1)