activity
20192026
most citedPrediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone

14 citations · 21 across the 4 of their papers we have counts for

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Showing 2026Show all

2 papers · 1 filter

physics.chem-ph2026

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…

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…