114 citations · 336 across the 6 of their papers we have counts for
5 papers · 1 filter
An Assessment of Different Electronic Structure Approaches for Modeling Time-Resolved X-ray Absorption Spectroscopy
Shota Tsuru, Marta L. Vidal, Mátyás Pápai +3
We assess the performance of different protocols for simulating excited-state X-ray absorption spectra. We consider three different protocols based on equation-of-motion coupled-cl…
Origin of vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
Kristjan Kunnus, Morgane Vacher, Tobias C. B. Harlang +38
Disentangling the dynamics of electrons and nuclei during nonadiabatic molecular transformations remains a considerable experimental challenge. Here we have investigated photoinduc…
Excited-State Solvation Structure of Transition Metal Complexes from Molecular Dynamics Simulations and Assessment of Partial Atomic Charge Methods
Mostafa Abedi, Gianluca Levi, Diana B. Zederkof +3
In this work, we investigate the excited-state solute and solvation structure of , , and $\mathrm…
Anisotropy enhanced X-ray scattering from solvated transition metal complexes
Elisa Biasin, Tim B. van Driel, Gianluca Levi +14
Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray Free Electron Lasers…
Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+
Elisa Biasin, Tim Brandt van Driel, Kasper S. Kjær +30
We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Sou…