most citedPredicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals -- a trajectory surface hopping and XMS-CASPT2 perspective

21 citations · 42 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2024★ 21 cited

Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals -- a trajectory surface hopping and XMS-CASPT2 perspective

Jiří Janoš, Joao Pedro Figueira Nunes, Daniel Hollas +2

This work is part of a prediction challenge that invited theoretical/computational chemists to predict the photochemistry of cyclobutanone in the gas phase, excited at 200 nm by a…

physics.chem-ph2023★ 21 cited

Monitoring the evolution of relative product populations at early times during a photochemical reaction

Joao Pedro Figueira Nunes, Lea Maria Ibele, Shashank Pathak +31

Identifying multiple rival reaction products and transient species formed during ultrafast photochemical reactions and determining their time-evolving relative populations are key…