Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO 3 )] 2+ (with Ln = La to Lu)

Peterson, Charles C.; Penchoff, Deborah A.; Auxier, II, John D.; Hall, Howard L.

doi:10.1021/acsomega.8b02403

Title: Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO ₃ )] ²⁺ (with Ln = La to Lu)

Journal Article · 16 January 2019 · ACS Omega

DOI: https://doi.org/10.1021/acsomega.8b02403 · OSTI ID:1491051

Peterson, Charles C. ^[1];

^[2]; Auxier, II, John D. ^[3]; Hall, Howard L. ^[4]

Research Information Technology Services, University of North Texas, 225 S. Avenue B, Denton, Texas 76201, United States, Institute for Nuclear Security, University of Tennessee, 1640 Cumberland Avenue, Knoxville, Tennessee 37996, United States
Institute for Nuclear Security, University of Tennessee, 1640 Cumberland Avenue, Knoxville, Tennessee 37996, United States
Department of Nuclear Engineering, University of Tennessee, 301 Middle Dr., Pasqua Nuclear Engineering Bldg., Knoxville, Tennessee 37996, United States
Institute for Nuclear Security, University of Tennessee, 1640 Cumberland Avenue, Knoxville, Tennessee 37996, United States, Department of Nuclear Engineering, University of Tennessee, 301 Middle Dr., Pasqua Nuclear Engineering Bldg., Knoxville, Tennessee 37996, United States, Radiochemistry Center of Excellence (RCOE), University of Tennessee, 1508 Middle Dr., Ferris Hall, Knoxville, Tennessee 37996, United States, Y-12 National Security Complex, Oak Ridge, Tennessee 37830, United States

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Research Organization:: Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: National Science Foundation (NSF) (United States); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; NA0001983

OSTI ID:: 1491051

Journal Information:: ACS Omega, Journal Name: ACS Omega Journal Issue: 1 Vol. 4; ISSN 2470-1343

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO 3 )] 2+ (with Ln = La to Lu)

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Title: Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO ₃ )] ²⁺ (with Ln = La to Lu)