Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes

Journal Article · 23 October 2018 · ACS Omega

DOI: https://doi.org/10.1021/acsomega.8b02068 · OSTI ID:1478699

Penchoff, Deborah A.  ^[1]; Peterson, Charles C. ^[2]; Camden, Jon P.  ^[3]; Bradshaw, James A. ^[4]; Auxier, II, John D. ^[5]; Schweitzer, George K. ^[6]; Jenkins, David M.  ^[6]; Harrison, Robert J. ^[7]; Hall, Howard L. ^[8]

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1. Institute for Nuclear Security, University of Tennessee, 1640 Cumberland Avenue, Knoxville, Tennessee 37996, United States, Joint Institute for Computational Sciences, Oak Ridge National Laboratory, 1 Bethel Valley Rd., Bldg. 5100, Oak Ridge, Tennessee 37831, United States
2. Research Information Technology Services, University of North Texas, 225 S. Avenue B, Denton, Texas 76201, United States
3. Department of Chemistry and Biochemistry, University of Notre Dame, 251 Nieuwland Science Hall, Notre Dame, Indiana 46556, United States
4. Y-12 National Security Complex, 602 Scarboro Rd, Oak Ridge, Tennessee 37830, United States
5. 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
6. Department of Chemistry, University of Tennessee, 1420 Circle Drive, Knoxville, Tennessee 37996, United States
7. Institute for Advanced Computational Science, Stony Brook University, 100 Nicolls Road, Stony Brook, New York 11790, United States, Brookhaven National Laboratory, Computational Science, Building 725, Upton, New York 11973, United States
8. Institute for Nuclear Security, University of Tennessee, 1640 Cumberland Avenue, Knoxville, Tennessee 37996, United States, Y-12 National Security Complex, 602 Scarboro Rd, Oak Ridge, Tennessee 37830, United States, Department of Nuclear Engineering, University of Tennessee, 301 Middle Dr., Pasqua Nuclear Engineering Bldg., Knoxville, Tennessee 37996, United States

Not Available

• Research Organization: Brookhaven National Lab. (BNL), Upton, NY (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Univ. of Tennessee, Knoxville, TN (United States)
• Sponsoring Organization: DOE Office of Science; USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Security (NA-70)
• Grant/Contract Number: NA0001983; SC0012704
• OSTI ID: 1478699
• Report Number(s): BNL-209498-2018-JAAM
• Journal Information: ACS Omega, Journal Name: ACS Omega Journal Issue: 10 Vol. 3; ISSN 2470-1343
• Publisher: American Chemical SocietyCopyright Statement
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
Coordination chemistry (Organomet.)
Electronic structure
Entropy
Free energy
Materials science
Molecular structure
Organic compounds and Functional groups
Vibrational frequency