Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone

Autor: Suchan, Jiří, Liang, Fangchun, Durden, Andrew S., Levine, Benjamin G.

Computer simulation has long been an essential partner of ultrafast experiments, allowing the assignment of microscopic mechanistic detail to low-dimensional spectroscopic data. However, the ability of theory to make a priori predictions of ultrafast

Externí odkaz: http://arxiv.org/abs/2401.08069

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Linear and Nonlinear Optical Processes Controlling S2 and S1 Dual Fluorescence in Cyanine Dyes.

Autor: Laboe, Maryann, Lahiri, Jurick, T. M., Nila Mohan, Liang, Fangchun, Levine, Benjamin G., Beck, Warren F., Dantus, Marcos

Publikováno v: Journal of Physical Chemistry A; 11/18/2021, Vol. 125 Issue 45, p9770-9784, 15p

Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone.

Autor: Suchan J; Institute of Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA., Liang F; Institute of Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA.; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, USA., Durden AS; Institute of Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA.; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, USA., Levine BG; Institute of Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA.; Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2024 Apr 07; Vol. 160 (13).