Posada-Amarillas A - Search Results

1

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations.

Castillo-Quevedo C, Cabellos JL, Aceves R, Núñez-González R, Posada-Amarillas A. Castillo-Quevedo C, et al. Among authors: posada amarillas a. Materials (Basel). 2020 Sep 26;13(19):4300. doi: 10.3390/ma13194300. Materials (Basel). 2020. PMID: 32993129 Free PMC article.

2

CO₂ adsorption on gas-phase Cu_4-xPt_x (x = 0-4) clusters: a DFT study.

Gálvez-González LE , Juárez-Sánchez JO , Pacheco-Contreras R , Garzón IL , Paz-Borbón LO , Posada-Amarillas A . Gálvez-González LE , et al. Among authors: posada amarillas a. Phys Chem Chem Phys. 2018 Jun 27;20(25):17071-17080. doi: 10.1039/c8cp00818c. Phys Chem Chem Phys. 2018. PMID: 29896596

3

Structure, Energetics, and Thermal Behavior of Bimetallic Re-Pt Clusters.

Gálvez-González LE, Posada-Amarillas A, Paz-Borbón LO. Gálvez-González LE, et al. Among authors: posada amarillas a. J Phys Chem A. 2021 May 27;125(20):4294-4305. doi: 10.1021/acs.jpca.0c11303. Epub 2021 May 19. J Phys Chem A. 2021. PMID: 34008972

4

CeO₂(111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters.

Paz-Borbón LO, Buendía F, Garzón IL, Posada-Amarillas A, Illas F, Li J. Paz-Borbón LO, et al. Among authors: posada amarillas a. Phys Chem Chem Phys. 2019 Jul 17;21(28):15286-15296. doi: 10.1039/c9cp01772k. Phys Chem Chem Phys. 2019. PMID: 31090767

5

Global minimum Pt(13)M(20) (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters.

Borbón-González DJ, Fortunelli A, Barcaro G, Sementa L, Johnston RL, Posada-Amarillas A. Borbón-González DJ, et al. Among authors: posada amarillas a. J Phys Chem A. 2013 Dec 27;117(51):14261-6. doi: 10.1021/jp410079t. Epub 2013 Dec 13. J Phys Chem A. 2013. PMID: 24303915

6

Structures and energetics of 98 atom Pd-Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles.

Paz-Borbón LO, Mortimer-Jones TV, Johnston RL, Posada-Amarillas A, Barcaro G, Fortunelli A. Paz-Borbón LO, et al. Among authors: posada amarillas a. Phys Chem Chem Phys. 2007 Oct 14;9(38):5202-8. doi: 10.1039/b707136a. Phys Chem Chem Phys. 2007. PMID: 19459283

7

Tetrahelix conformations and transformation pathways in Pt1Pd12 clusters.

Pacheco-Contreras R, Dessens-Félix M, Borbón-González DJ, Paz-Borbón LO, Johnston RL, Schön JC, Posada-Amarillas A. Pacheco-Contreras R, et al. Among authors: posada amarillas a. J Phys Chem A. 2012 May 31;116(21):5235-9. doi: 10.1021/jp3023925. Epub 2012 May 17. J Phys Chem A. 2012. PMID: 22559786

8

2D-3D structural transition in sub-nanometer Pt_N clusters supported on CeO₂(111).

Paz-Borbón LO, López-Martínez A, Garzón IL, Posada-Amarillas A, Grönbeck H. Paz-Borbón LO, et al. Among authors: posada amarillas a. Phys Chem Chem Phys. 2017 Jul 21;19(27):17845-17855. doi: 10.1039/c7cp02753b. Epub 2017 Jun 29. Phys Chem Chem Phys. 2017. PMID: 28660967

9

Pd₈ Cluster: Too Small to Melt? A BOMD Study.

Luna-Valenzuela A, Pedroza-Montero JN, Köster AM, Calaminici P, Gálvez-González LE, Posada-Amarillas A. Luna-Valenzuela A, et al. Among authors: posada amarillas a. J Phys Chem A. 2024 Jan 25;128(3):572-580. doi: 10.1021/acs.jpca.3c06173. Epub 2024 Jan 11. J Phys Chem A. 2024. PMID: 38207112

10

Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodology.

Barraza-Jimenez D, Galvan DH, Posada-Amarillas A, Flores-Hidalgo MA, Glossman-Mitnik D, Jose-Yacaman M. Barraza-Jimenez D, et al. Among authors: posada amarillas a. J Mol Model. 2012 Nov;18(11):4885-91. doi: 10.1007/s00894-012-1490-4. Epub 2012 Jun 21. J Mol Model. 2012. PMID: 22718327

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