3 papers
physics.chem-ph2025
Unraveling the relaxation dynamics of Uracil: insights from time-resolved X-ray photoelectron spectroscopy
Davide Faccialà, Matteo Bonanomi, Bruno Nunes Cabral Tenorio +26
We report a study of the electronic and nuclear relaxation dynamics of the photoexcited RNA base uracil in the gas phase, using time-resolved core level photoelectron spectroscopy…
physics.chem-ph2025
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
physics.chem-ph2022
The photochemical ring-opening reaction of 1,3-cyclohexadiene: complex dynamical evolution of the reactive state
O. Travnikova, T. Piteša, A. Ponzi +19
The photochemically induced ring-opening isomerization reaction of 1,3-cyclohexadiene (CHD) to 1,3,5-hexatriene (HT) is a textbook example of a pericyclic reaction, and has been am…