Lakuntza O - Search Results

1

Probing Phase Formation and Structural Transformations in Sodium Extraction and Insertion of NaFe_1-yMn_yPO₄ through First-Principles Calculations.

Ismail M, Lakuntza O, Carrasco J, Saurel D, Casas-Cabanas M, Reynaud M, Saracibar A. Ismail M, et al. Among authors: lakuntza o. Inorg Chem. 2024 Oct 28;63(43):20541-20550. doi: 10.1021/acs.inorgchem.4c03148. Epub 2024 Oct 18. Inorg Chem. 2024. PMID: 39422350 Free PMC article.

2

Role of the voltage window on the capacity retention of P2-Na_2/3[Fe_1/2Mn_1/2]O₂ cathode material for rechargeable sodium-ion batteries.

Zarrabeitia M, Nobili F, Lakuntza O, Carrasco J, Rojo T, Casas-Cabanas M, Muñoz-Márquez MÁ. Zarrabeitia M, et al. Among authors: lakuntza o. Commun Chem. 2022 Feb 1;5(1):11. doi: 10.1038/s42004-022-00628-0. Commun Chem. 2022. PMID: 36697877 Free PMC article.

3

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.

4

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

5

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

6

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

7

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.

8

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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