Electron correlation effects on uranium isotope fractionation in U(<scp>vi</scp>)–U(<scp>vi</scp>) and U(<scp>iv</scp>)–U(<scp>vi</scp>) equilibrium isotopic exchange systems-Reference-Cited by-同舟云学术

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Electron correlation effects on uranium isotope fractionation in U(vi)–U(vi) and U(iv)–U(vi) equilibrium isotopic exchange systems

Published:2024 Issue:21 Volume:26 Page:15301-15315
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sato Ataru¹²^ORCID,Hada Masahiko¹^ORCID,Abe Minori¹²^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachiojii-shi Tokyo 192-0397, Japan

2. Department of Chemistry, Graduate School of Advanced Science and Engineering, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima City Hiroshima 739-8526, Japan

Abstract

U isotope fractionation coefficients were calculated using relativistic electron correlation methods. B3LYP calculations for U(vi)–U(vi) systems agree with experiments, while describing open-shell U(iv) states remains challenging for all the methods.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01149J

Reference91 articles.

1. Uranium 238U/235U Isotope Ratios as Indicators of Reduction: Results from an in situ Biostimulation Experiment at Rifle, Colorado, U.S.A.

2. Uranium isotopic fractionation factors during U(VI) reduction by bacterial isolates

3. The biogeochemistry and bioremediation of uranium and other priority radionuclides

4. Isotope fractionation of 238U and 235U during biologically-mediated uranium reduction

5. Uranium isotopes fingerprint biotic reduction

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