List of works - Wolfgang Domcke

Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump–Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway–Window Representation

scientific article published on 23 March 2021

Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: "Ideal" and "real" spectra

scientific article published on 01 May 2019

Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

scientific article published on 01 April 2019

Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine

scientific article published on 16 July 2021

Mapping of Wave Packet Dynamics at Conical Intersections by Time- and Frequency-Resolved Fluorescence Spectroscopy: A Computational Study

scientific article published on 19 September 2019

Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex.

scientific article published on 7 June 2017

Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study

scientific article published on 09 January 2019

Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study

scientific article published on 01 November 2020

Orientational relaxation of a quantum linear rotor in a dissipative environment: Simulations with the hierarchical equations-of-motion method

scientific article published on 01 July 2019

Origin of Unexpectedly Simple Oscillatory Responses in the Excited-State Dynamics of Disordered Molecular Aggregates

scientific article published on 15 May 2019

Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters

scientific article published on 24 January 2019

Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

scientific article published on 26 May 2020

Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry

scientific article published on 01 September 2020

Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst

scientific article published on 18 October 2018

Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study

scientific article published on 18 April 2019

Simulation of Femtosecond Phase-Locked Double-Pump Signals of Individual Light-Harvesting Complexes LH2

scientific article published on 27 July 2018

Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

scientific article published on 12 September 2019

Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules

scientific article published on 01 October 2019

List of works by Wolfgang Domcke