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Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO3)]2+ (with Ln = La to Lu)
This article is a study evaluating the predictive capabilities of various ab initio methods in the calculation of Gibbs free energies of reaction for [Ln(NO₃)]²⁺ compounds (with Ln = La to Lu), as nitrates are critical in traditional separation processes utilizing nitric acid. The composite methodologies evaluated predict Gibbs free energies of reaction for [Ln(NO₃)]²⁺ compounds within 5 kcal mol⁻¹ in most cases from the target method [CCSD(T)-FSII/cc-pwCV∞Z-DK3+SO] at a fraction of the computational cost.
Date:
September 16, 2018
Creator:
Peterson, Charles C.; Penchoff, Deborah A.; Auxier, John D., II & Hall, Howard L.
System:
The UNT Digital Library
Construct Validity of the Late-Life Function and Disability Instrument in African American Breast Cancer Survivors
Paper describes results of a study examining the validity of the Late-Life Function and Disability Instrument for cancer survivors, focusing specifically on African-American breast cancer survivors.
Date:
November 16, 2016
Creator:
Pandya, Ekta; Mistry, Jay; Dobhal, Megha; Borra, Sujana & Paxton, Raheem J.
System:
The UNT Digital Library