114 citations · 367 across the 18 of their papers we have counts for
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Attochemical control of nuclear motion despite fast electronic decoherence
Lina Fransén, Sandra Gomez, Morgane Vacher
Short-in-time, broad-in-energy attosecond or few-femtosecond pulses can excite coherent superpositions of several electronic states in molecules. This results in ultrafast charge o…
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
Vincent Delmas, Alessandro Nardi Nardi, Isabella C. D. Merritt +3
Poor scaling of dynamics simulations with number of dimensions is currently a major limiting factor in the simulation of photochemical processes. In this work, we investigate ways…
Ultrafast probing of isotope-induced explciit symmetry breaking in ethylene
Alessandro Nicola Nardi, Alexie Boyer, Yaowei Hu +4
Symmetry governs nature's law, yet many of the natural phenomena occur due to the breakdown of symmetry. Here, we show how isotope-induced inversion symmetry breaking influences ul…
Tracking photophysical relaxation in spiropyran with simulated time-resolved X-ray absorption spectroscopy
Lina Fransén, Benjamin Roux, Sonia Coriani +2
Spiropyran is a prototype photoswitch that undergoes photoinduced ring-opening via C-O bond fission. The quantum yield for this photochemical reaction is low, with photophysical re…
Photodissociation of Cr(CO)bpy: A non-adiabatic dynamics investigation
Bartosz Ciborowski, Morgane Vacher
Carbonyl complexes of metals with an alpha-diimine ligand exhibit both emission and ligand-selective photodissociation from MLCT states. Studying this photodissociative mecha…