Search Results - "Ta, An T"
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1
Dynamic and Solvation Behaviors of ALSEP Organic Ligands
Published in The journal of physical chemistry. B (10-10-2019)“…The Actinide-Lanthanide Separation Process (ALSEP) is a solvent extraction approach for separating relevant trivalent minor actinides (e.g., americium and…”
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2
Friends or Foes: Fundamental Principles of Th-Organic Scaffold Chemistry Using Zr-Analogs as a Guide
Published in Journal of the American Chemical Society (01-05-2024)“…The fundamental interest in actinide chemistry, particularly for the development of thorium-based materials, is experiencing a renaissance owing to the recent…”
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3
f‐block MOFs: A Pathway to Heterometallic Transuranics
Published in Angewandte Chemie International Edition (26-01-2023)“…A novel series of heterometallic f‐block‐frameworks including the first examples of transuranic heterometallic 238U/239Pu‐metal–organic frameworks (MOFs) and a…”
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4
Solvation Dynamics of HEHEHP Ligand at the Liquid–Liquid Interface
Published in The journal of physical chemistry. B (07-06-2018)“…Actinide–lanthanide separation (ALSEP) has been a topic of interest in recent years as it has been shown to selectively extract problematic metals from spent…”
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5
f‐block MOFs: A Pathway to Heterometallic Transuranics
Published in Angewandte Chemie (26-01-2023)“…A novel series of heterometallic f‐block‐frameworks including the first examples of transuranic heterometallic 238U/239Pu‐metal–organic frameworks (MOFs) and a…”
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6
Preferential interlayer adsorption sites in phyllosilicate clay edge models by molecular dynamics simulation
Published in Applied clay science (15-06-2024)“…Phyllosilicate clay minerals have been proposed as a possible buffer material to be used in deep geological repositories containing high-level waste and used…”
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7
Surface reconstruction and cleavage of phyllosilicate clay edge by density functional theory
Published in Applied clay science (15-12-2023)Get full text
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8
Binding of radionuclides and surrogate to 18-crown-6 ether by density functional theory
Published in Microporous and mesoporous materials (15-01-2024)Get full text
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9
Binding of radionuclides and surrogate to 18-crown-6 ether by density functional theory
Published in Microporous and mesoporous materials (02-11-2023)“…For this work, we use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our calculations…”
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10
Migration velocities of intergranular He gas bubbles under thermal gradients in Fe by phase-field modeling
Published in Journal of nuclear materials (01-11-2023)“…We compute the migration velocity of intergranular He bubbles in Fe under thermal gradients using phase-field (PF) modeling. Grain boundaries (GBs) with…”
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11
Organometallic functionalized clays for technetium immobilization
Published in Applied clay science (01-12-2024)“…Nuclear waste repository designs require backfill materials to contain long-lived radionuclides, including technetium-99, present as the pertechnetate anion…”
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12
Binding of uranyl cations to a Zr-based metal-organic framework by density functional theory
Published in Computational materials science (25-10-2023)“…We used density functional theory to simulate the binding behavior of uranyl cation attaching on the Zr-MOF metal node. [Display omitted] Zr-based…”
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13
Microstructure, adsorption site energetics, and formation enthalpy control for FAU-Zeolite Cs+ exchange
Published in Microporous and mesoporous materials (01-06-2024)“…Cs-137 is a radionuclide fission product that poses a significant risk to life, making it crucial to develop effective methods for its separation and…”
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14
Behaviors of ALSEP Organic Extractants: an Atomic Perspective Derived from Molecular Dynamics Simulation
Published in Solvent extraction and ion exchange (02-01-2022)“…Molecular dynamics simulations were performed on mixtures of N,N,N′,N′-tetra(2-ethylhexyl)diglycolamide (T2EHDGA) and 2-ethylhexylphosphonic acid…”
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15
f‐ block MOFs: A Pathway to Heterometallic Transuranics
Published in Angewandte Chemie (International ed.) (19-12-2022)“…Abstract A novel series of heterometallic f ‐block‐frameworks including the first examples of transuranic heterometallic 238 U/ 239 Pu‐metal–organic frameworks…”
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16
The Highly Operational Team (HOT) toward f‐Block Materials
Published in Angewandte Chemie International Edition (07-08-2023)“…This invited Team Profile was created by the scientists in the Highly Operational Team (HOT) led by the Shustova group from the University of South Carolina…”
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17
Functionalized Clays for Radionuclide Sequestration: A Review
Published in ACS earth and space chemistry (17-11-2022)“…Performance assessment of nuclear waste disposal options requires implementation of effective buffer materials. Buffer materials must meet longevity…”
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f‐ block MOFs: A Pathway to Heterometallic Transuranics
Published in Angewandte Chemie (19-12-2022)“…Abstract A novel series of heterometallic f ‐block‐frameworks including the first examples of transuranic heterometallic 238 U/ 239 Pu‐metal–organic frameworks…”
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19
A FORMAL PROOF OF THE KEPLER CONJECTURE
Published in Forum of mathematics. Pi (2017)“…This article describes a formal proof of the Kepler conjecture on dense sphere packings in a combination of the HOL Light and Isabelle proof assistants. This…”
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20
Proofs for some conjectures of Rajaratnam and Takawira on the peakedness of handoff traffic
Published in IEEE transactions on vehicular technology (01-07-2003)“…The purpose of this paper is to supplement a recent paper by M. Rajaratnam and F. Takawira (see ibid., vol.49, p.817-34, 2000), which deals with a model for…”
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