30 citations · 123 across the 13 of their papers we have counts for
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Real-Time Emergence of Charge-Transfer-to-Solvent States from Core Excitation
Jiří Suchan, B. Scott Fales, Benjamin G. Levine +2
Charge-transfer-to-solvent (CTTS) excitations provide a chemically central route to generating hydrated electrons and initiating redox chemistry in solution, yet the earliest stage…
Limitations of MRSF-TDDFT for Applications in Photochemistry
Jiří Janoš, Andrew J. Orr-Ewing, Basile F. E. Curchod +1
Mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) has recently emerged as an attractive electronic-structure method for studying photochemical process…
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…
On the interpretation of molecular photoexcitation with long and ultrashort laser pulses
Jiří Janoš, Federica Agostini, Petr Slavíček +1
Photoexcitation is an inherent part of any photochemical or spectroscopic experiment, yet its impact on the excited-state dynamics is often overlooked. However, it is the excited m…
Proton transfer and hydronium formation in ionized water
Ivo S. Vinklárek, Sebastian Trippel, Michal Belina +4
Aqueous radiation chemistry emerges through ultrafast proton transfer and ion-radical formation with unexplored energy-redistribution dynamics steering the subsequent reactions. We…