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Role of the voltage window on the capacity retention of P2-Na2/3[Fe1/2Mn1/2]O2 cathode material for rechargeable sodium-ion batteries.
Commun Chem. 2022 Feb 1;5(1):11. doi: 10.1038/s42004-022-00628-0.
Commun Chem. 2022.
PMID: 36697877
Free PMC article.
Suppressed Mobility of Negative Charges in Polymer Electrolytes with an Ether-Functionalized Anion.
Zhang H, Chen F, Lakuntza O, Oteo U, Qiao L, Martinez-Ibañez M, Zhu H, Carrasco J, Forsyth M, Armand M.
Zhang H, et al. Among authors: lakuntza o.
Angew Chem Int Ed Engl. 2019 Aug 26;58(35):12070-12075. doi: 10.1002/anie.201905794. Epub 2019 Aug 5.
Angew Chem Int Ed Engl. 2019.
PMID: 31259482
Free PMC article.
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Searching for Hidden Descriptors in the Metal-Ligand Bond through Statistical Analysis of Density Functional Theory (DFT) Results.
Lakuntza O, Besora M, Maseras F.
Lakuntza O, et al.
Inorg Chem. 2018 Dec 3;57(23):14660-14670. doi: 10.1021/acs.inorgchem.8b02372. Epub 2018 Nov 16.
Inorg Chem. 2018.
PMID: 30444606
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A computational study of radical initiated protein backbone homolytic dissociation on all natural amino acids.
Uranga J, Lakuntza O, Ramos-Cordoba E, Matxain JM, Mujika JI.
Uranga J, et al. Among authors: lakuntza o.
Phys Chem Chem Phys. 2016 Nov 16;18(45):30972-30981. doi: 10.1039/c6cp06529e.
Phys Chem Chem Phys. 2016.
PMID: 27805199
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Quantum chemical study of the reactions between Pd+/Pt+ and H2O/H2S.
Lakuntza O, Matxain JM, Ruipérez F, Ugalde JM, Armentrout PB.
Lakuntza O, et al.
Chemistry. 2013 Jul 1;19(27):8832-8. doi: 10.1002/chem.201300222. Epub 2013 May 22.
Chemistry. 2013.
PMID: 23703981
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A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+.
Lakuntza O, Matxain JM, Ruipérez F, Besora M, Maseras F, Ugalde JM, Schlangen M, Schwarz H.
Lakuntza O, et al.
Phys Chem Chem Phys. 2012 Jul 14;14(26):9306-10. doi: 10.1039/c2cp23502a. Epub 2012 Feb 3.
Phys Chem Chem Phys. 2012.
PMID: 22307359
Free article.
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Quantum chemical study of the reaction between Ni+ and H2S.
Lakuntza O, Matxain JM, Ugalde JM.
Lakuntza O, et al.
Chemphyschem. 2010 Oct 4;11(14):3172-8. doi: 10.1002/cphc.200901020.
Chemphyschem. 2010.
PMID: 20830728
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