2 papers
physics.chem-ph2026
Ultrafast nonadiabatic dynamics of tetraphenylsubstituted nitrogen-based heterocycles
Javier Hernández-Rodríguez, Alberto Martín Santa Daría, Susana Gómez-Carrasco +1
Tetraphenylpyrazine (TPP) and 2,3,4,5-tetraphenyl-1H-pyrrole (TePP) are closely related heterocycles bearing four phenyl substituents, whose structural similarity makes them a usef…
physics.chem-ph2026
Perspective on a challenge: predicting the photochemistry of cyclobutanone
Jiří Janoš, Nanna Holmgaard List, Andrew J. Orr-Ewing +37
This Perspective is part of a Special Topic that explored the maturity of nonadiabatic molecular dynamics for predicting photochemical processes. In 2023, a prediction challenge wa…