Supporting Data: Photoluminescence of a Uranium(IV) Alkoxide Complex

dataset

posted on 2025-01-13, 15:39 authored by Bess VlaisavljevichBess Vlaisavljevich, Sabyasachi Roy Chowdhury

Supporting computational data for the publication titled:

L. R. Valerio, S. Roy Chowdhury, R. Lewis, K. E. Knowles,* B. Vlaisavljevich,* and E. M. Matson* “Photoluminescence of a Uranium(IV) Alkoxide Complex", Submitted to JACS Au.

Funding

U.S. Department of Energy, Office of Science, Basic Energy Sciences, in the Heavy-Element Chemistry program (DE-SC0025311)

Computations supporting this project performed on high-performance computing systems were made possible by resources funded by NSF award OAC-1626516.

History

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Keywords

Density functional theory XMS-CASPT2 SO-XMS-CASPT2 Emission Spectra Absorption Spectra

Licence

CC BY 4.0