Jiří Janoš
@jirijanos
ID: 1445011713653420036
04-10-2021 13:03:57
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It's the electronic structure that matters. In a new paper, we discuss the present-day practice in photodynamics. #photodynamics #compchem VŠCHT / UCT Prague What Controls the Quality of Photodynamical Simulations? Electronic Structure Versus Nonadiabatic Algorithm pubs.acs.org/doi/full/10.10…
📢Call For Papers How accurate are excited state simulations? This Special Topic will feature the community’s predictions around an upcoming cyclobutanone photochemistry experiment! todd martinez Mario Barbatti Basile Curchod Learn more: aippub.org/3F10fF2
Visible-Light-Activated Carbon Monoxide Release from Porphyrin–Flavonol Hybrids | Journal of the American Chemical Society The Slavíček Group IOCB Prague Masaryk University RECETOX #VisibleLight #CO #Release #Porphyrin #Flavonol #Hybrid pubs.acs.org/doi/10.1021/ja…
Activating UV chromophores with red light with a new energy transfer process. Nice collaboration with Petr Klán. VŠCHT / UCT Prague Visible-Light-Activated Carbon Monoxide Release from Porphyrin–Flavonol Hybrids | Journal of the American Chemical Society pubs.acs.org/doi/10.1021/ja…
New way to include laser field into trajectory-based simulations by tailoring initial conditions Nice collaboration with Basile Curchod and Jiří Janoš pubs.acs.org/doi/10.1021/ac… VŠCHT / UCT Prague #compchem
Blame the potentials! Different electronic structure methods skew predictions for stilbene photoisomerization. A thrifty bias-driven sensitivity analysis uncover the issue. Read more here: pubs.acs.org/doi/full/10.10… #ComputationalChemistry #Photodynamics VŠCHT / UCT Prague JCIM & JCTC Journals