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Quasi-degenerate states and their dynamics in oxygen deficient reducible metal oxides.
J Chem Phys. 2020 Feb 7;152(5):050901. doi: 10.1063/1.5138484.
J Chem Phys. 2020.
PMID: 32035446
One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods.
Rellán-Piñeiro M, López N.
Rellán-Piñeiro M, et al.
J Phys Chem Lett. 2018 May 17;9(10):2568-2573. doi: 10.1021/acs.jpclett.8b00536. Epub 2018 May 2.
J Phys Chem Lett. 2018.
PMID: 29703080
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The Active Molybdenum Oxide Phase in the Methanol Oxidation to Formaldehyde (Formox Process): A DFT Study.
Rellán-Piñeiro M, López N.
Rellán-Piñeiro M, et al.
ChemSusChem. 2015 Jul 8;8(13):2231-9. doi: 10.1002/cssc.201500315. Epub 2015 Jun 17.
ChemSusChem. 2015.
PMID: 26083992
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Shape control in concave metal nanoparticles by etching.
Li Q, Rellán-Piñeiro M, Almora-Barrios N, Garcia-Ratés M, Remediakis IN, López N.
Li Q, et al. Among authors: rellan pineiro m.
Nanoscale. 2017 Sep 14;9(35):13089-13094. doi: 10.1039/c7nr03889e.
Nanoscale. 2017.
PMID: 28848974
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Enhanced Performance of Zirconium-Doped Ceria Catalysts for the Methoxycarbonylation of Anilines.
Núñez-Rico JL, Rellán-Piñeiro M, Puértolas B, Vidal-Ferran A, López N, Pérez-Ramírez J, Wershofen S.
Núñez-Rico JL, et al. Among authors: rellan pineiro m.
Chemistry. 2020 Dec 4;26(68):16129-16137. doi: 10.1002/chem.202003201. Epub 2020 Nov 3.
Chemistry. 2020.
PMID: 32677719
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Computational Mechanism of Methyl Levulinate Conversion to γ-Valerolactone on UiO-66 Metal Organic Frameworks.
Ortuño MA, Rellán-Piñeiro M, Luque R.
Ortuño MA, et al. Among authors: rellan pineiro m.
ACS Sustain Chem Eng. 2022 Mar 21;10(11):3567-3573. doi: 10.1021/acssuschemeng.1c08021. Epub 2022 Mar 4.
ACS Sustain Chem Eng. 2022.
PMID: 35360051
Free PMC article.
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DFT and MP2 study of the interaction between corannulene and alkali cations.
Rellán-Piñeiro M, Rodríguez-Otero J, Cabaleiro-Lago EM, Josa D.
Rellán-Piñeiro M, et al.
J Mol Model. 2013 May;19(5):2049-55. doi: 10.1007/s00894-012-1632-8. Epub 2012 Oct 21.
J Mol Model. 2013.
PMID: 23086463
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