Curium citrate TRLFS, PARAFAC, DFT
Published: 12 July 2024| Version 2 | DOI: 10.17632/fvhvdfr6jv.2
Contributors:
Matthew Comins, Chengming Shang, , Andrej Skerencak-Frech, , , Description
All TRLFS spectra, graphs, slope analysis, and preliminary modeling results (from PHREEQC) are contained in the Origin (.opju) file. Databases used for PHREEQC models are provided as .txt files. The spectral deconvolution file provides fraction species, as determined from PARAFAC, before and after refinement (i.e., checking fits against chi-squared, which is also provided as a .xlsx file). Fits after refinement contain "new" at the end of the file name. Pertinent information from DFT calculations is provided as a pdf, titled "Cm_citrate DFT_05062024."
Files
Institutions
Karlsruher Institut fur Technologie - Campus Nord, University of Notre Dame
Categories
Chemistry, Spectroscopy, Time-Resolved Spectroscopy, Quantum Chemical Calculations, Laser Induced Fluorescence
Funding
Deutsche Forschungsgemeinschaft
INST 40/575-1 FUGG (JUSTUS 2 cluster)
Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg
bwHPC
Oak Ridge Institute for Science and Education