Curium citrate TRLFS, PARAFAC, DFT

Published: 12 July 2024| Version 2 | DOI: 10.17632/fvhvdfr6jv.2
Contributors:
Matthew Comins,
,
,
,
,
,

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

Funders

Licence