Wolfgang Domcke

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 28

Top Topics

Electron Transfer

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Tobias Kaczun, Adrian L Dempwolff, Xiang Huang, Maxim F Gelin, Wolfgang Domcke, Andreas Dreuw
Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Ab Initio Simulations Using the Quasiclassical Doorway-Window Approximation. The journal of physical chemistry letters (2023)
Doyk Hwang, Liam M Wrigley, Micah Lee, Andrzej L Sobolewski, Wolfgang Domcke, Cody W Schlenker
Local Hydrogen Bonding Determines Branching Pathways in Intermolecular Heptazine Photochemistry. The journal of physical chemistry. B (2023)
Andrzej L Sobolewski, Wolfgang Domcke
Excited-state singlet-triplet inversion in hexagonal aromatic and heteroaromatic compounds. Physical chemistry chemical physics : PCCP (2023)
Sebastian Pios, Wolfgang Domcke
Reduction of CO 2 with Hydrated Electrons: Ab Initio Computational Studies for Finite-Size Cluster Models. The journal of physical chemistry. A (2023)
Maxim F Gelin, Lipeng Chen, Wolfgang Domcke
Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N -Wave-Mixing Signals. Chemical reviews (2022)
Sebastian Pios, Wolfgang Domcke
Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical. The journal of physical chemistry. A 126 (18) (2022)
Branislav Milovanović, Jurica Novak, Mihajlo Etinski, Wolfgang Domcke, Nadja Došlić
On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Xiang Huang, Wolfgang Domcke
Ab initio trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes. Physical chemistry chemical physics : PCCP 24 (26) (2022)
Wolfgang Domcke, Andrzej L Sobolewski
Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective. The journal of physical chemistry. B 126 (15) (2022)
Andrzej L Sobolewski, Wolfgang Domcke
Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet-Triplet Systems? The journal of physical chemistry letters 12 (29) (2021)
Branislav Milovanović, Jurica Novak, Mihajlo Etinski, Wolfgang Domcke, Nadja Došlić
Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters. Physical chemistry chemical physics : PCCP 23 (4) (2021)
Xiang Huang, Wolfgang Domcke
Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine Chromophore. The journal of physical chemistry. A 125 (45) (2021)
Maxim F Gelin, Xiang Huang, Weiwei Xie, Lipeng Chen, Nadja Došlić, Wolfgang Domcke
Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation. Journal of chemical theory and computation 17 (4) (2021)
Hua Guo, Graham A Worth, Wolfgang Domcke
Quantum dynamics with ab initio potentials. The Journal of chemical physics 155 (8) (2021)
Xiang Huang, Weiwei Xie, Nadja Došlić, Maxim F Gelin, Wolfgang Domcke
Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine. The journal of physical chemistry letters 12 (48) (2021)
Tomislav Piteša, Marin Sapunar, Aurora Ponzi, Maxim F Gelin, Nadja Došlić, Wolfgang Domcke, Piero Decleva
Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine. Journal of chemical theory and computation 17 (8) (2021)
Johannes Ehrmaier, Xiang Huang, Emily J Rabe, Kathryn L Corp, Cody W Schlenker, Andrzej L Sobolewski, Wolfgang Domcke
Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability. The journal of physical chemistry. A 124 (19) (2020)
Wolfgang Domcke, Andrzej L Sobolewski, Cody W Schlenker
Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry. The Journal of chemical physics 153 (10) (2020)
Johannes Ehrmaier, Andrzej L Sobolewski, Wolfgang Domcke
Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study. The journal of physical chemistry. A 123 (17) (2019)
Maxim F Gelin, Elisa Palacino-González, Lipeng Chen, Wolfgang Domcke
Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study. Molecules (Basel, Switzerland) 24 (2) (2019)
Leonid V Poluyanov, Wolfgang Domcke, Sabyashachi Mishra
Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules. The Journal of chemical physics 151 (13) (2019)
Johannes Ehrmaier, Emily J Rabe, Sarah R Pristash, Kathryn L Corp, Cody W Schlenker, Andrzej L Sobolewski, Wolfgang Domcke
Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides. The journal of physical chemistry. A 123 (38) (2019)
Maxim F Gelin, Raffaele Borrelli, Wolfgang Domcke
Origin of Unexpectedly Simple Oscillatory Responses in the Excited-State Dynamics of Disordered Molecular Aggregates. The journal of physical chemistry letters 10 (11) (2019)
Lipeng Chen, Maxim F Gelin, Yang Zhao, Wolfgang Domcke
Mapping of Wave Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study. The journal of physical chemistry letters 10 (19) (2019)
Xiaojuan Pang, Chenwei Jiang, Weiwei Xie, Wolfgang Domcke
Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters. Physical chemistry chemical physics : PCCP 21 (26) (2019)
Emily J Rabe, Kathryn L Corp, Andrzej L Sobolewski, Wolfgang Domcke, Cody W Schlenker
Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst. The journal of physical chemistry letters 9 (21) (2018)
Lipeng Chen, Maxim F Gelin, Wolfgang Domcke, Yang Zhao
Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light-Harvesting Complexes LH2. The journal of physical chemistry letters 9 (16) (2018)
Johannes Ehrmaier, Tolga N V Karsili, Andrzej L Sobolewski, Wolfgang Domcke
Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex. The journal of physical chemistry. A 121 (25) (2017)