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2019 | 3 |
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Page 1
Disproportionation of the Uranyl(V) Coordination Complexes in Aqueous Solution through Outer-Sphere Electron Transfer.
Inorg Chem. 2021 Dec 20;60(24):18832-18842. doi: 10.1021/acs.inorgchem.1c02575. Epub 2021 Nov 30.
Inorg Chem. 2021.
PMID: 34847326
Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions.
Arumugam K , Burton NA .
Arumugam K , et al.
Phys Chem Chem Phys. 2019 Feb 6;21(6):3227-3241. doi: 10.1039/c8cp05412f.
Phys Chem Chem Phys. 2019.
PMID: 30681090
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Uranyl-Bound Tetra-Dentate Non-Innocent Ligands: Prediction of Structure and Redox Behaviour Using Density Functional Theory.
Arumugam K, Burton NA.
Arumugam K, et al.
Chemphyschem. 2019 Jul 16;20(14):1869-1878. doi: 10.1002/cphc.201900301. Epub 2019 Jun 17.
Chemphyschem. 2019.
PMID: 31063234
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The basis for reevaluating the reactivity of pyrite surfaces: spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe(ii) ions.
Arumugam K , Renock D , Becker U .
Arumugam K , et al.
Phys Chem Chem Phys. 2019 Mar 20;21(12):6415-6431. doi: 10.1039/c8cp05459b.
Phys Chem Chem Phys. 2019.
PMID: 30839022
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Investigation of ligand exchange reactions in aqueous uranyl carbonate complexes using computational approaches.
Doudou S, Arumugam K, Vaughan DJ, Livens FR, Burton NA.
Doudou S, et al. Among authors: arumugam k.
Phys Chem Chem Phys. 2011 Jun 21;13(23):11402-11. doi: 10.1039/c1cp20617f. Epub 2011 May 13.
Phys Chem Chem Phys. 2011.
PMID: 21566831
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