Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray …

A Nimmrich, N Govind, M Khalil - The Journal of Physical …, 2024 - ACS Publications
Proton transfer processes form the foundation of many chemical processes. In excited-state
intramolecular proton transfer (ESIPT) processes, ultrafast proton transfer is impulsively …

Tracking the Electron Density Changes in Excited States: A Computational Study of Pyrazine

SV Pios, J Zhang, MF Gelin, HG Duan… - The Journal of Physical …, 2024 - ACS Publications
The development of X-ray free-electron lasers has enabled ultrafast X-ray diffraction (XRD)
experiments, which are capable of resolving electronic and vibrational transitions and …

A Fully Dynamical Description of Time-Resolved Resonant Inelastic X-ray Scattering of Pyrazine

A Freibert, D Mendive-Tapia, O Vendrell… - arXiv preprint arXiv …, 2024 - arxiv.org
Recent advancements in ultrashort and intense X-ray sources have enabled the utilisation of
resonant inelastic X-ray scattering (RIXS) as a probing technique for monitoring …