[HTML][HTML] The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics

J Eng, CD Rankine, TJ Penfold - The Journal of Chemical Physics, 2024 - pubs.aip.org
Owing to ring strain, cyclic ketones exhibit complex excited state dynamics with multiple
competing photochemical channels active on the ultrafast timescale. While the excited state …

Prediction challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods

S Mukherjee, RS Mattos, JM Toldo, H Lischka… - The Journal of …, 2024 - pubs.aip.org
This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the
n→ 3s Rydberg S 2 state. It stems from our contribution to the Special Topic of the Journal of …