2 papers
physics.chem-ph2024
Simulating Attochemistry: Which Dynamics Method to Use?
Thierry Tran, Anthony Ferté, Morgane Vacher
Attochemistry aims to exploit the properties of coherent electronic wavepackets excited via attosecond pulses, to control the formation of photoproducts. Such molecular processes c…
physics.chem-ph2024
Dissociation and isomerization following ionization of ethylene: insights from non-adiabatic dynamics simulations
Lina Fransén, Thierry Tran, Saikat Nandi +1
Photoionized and electronically excited ethylene \ce{C2H4+} can undergo \ce{H}-loss, \ce{H2}-loss, and ethylene-ethylidene isomerization, where the latter entails a hydrogen migrat…