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pro vyhledávání: '"Slavíček, Petr"'
Over the last decades, theoretical photochemistry has produced multiple techniques to simulate the nonadiabatic dynamics of molecules. Surprisingly, much less effort has been devoted to adequately describing the first step of a photochemical or photo
Externí odkaz:
http://arxiv.org/abs/2408.17359
Autor:
Janoš, Jiří, Nunes, Joao Pedro Figueira, Hollas, Daniel, Slavíček, Petr, Curchod, Basile F. E.
Publikováno v:
J. Chem. Phys. 160, 144305 (2024)
This work is part of a prediction challenge that invited theoretical/computational chemists to predict the photochemistry of cyclobutanone in the gas phase, excited at 200 nm by a laser pulse, and the expected signal that will be recorded during a ti
Externí odkaz:
http://arxiv.org/abs/2402.05801