P
P.L. Rodríguez-Kessler
Researcher at Autonomous University of Chile
Publications - 39
Citations - 324
P.L. Rodríguez-Kessler is an academic researcher from Autonomous University of Chile. The author has contributed to research in topics: Chemistry & Density functional theory. The author has an hindex of 8, co-authored 28 publications receiving 204 citations. Previous affiliations of P.L. Rodríguez-Kessler include Instituto Potosino de Investigación Científica y Tecnológica.
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Journal ArticleDOI
Stability of Ni Clusters and the Adsorption of CH4: First-Principles Calculations
TL;DR: In this article, structural, magnetic and adsorption properties of Nin (n = 2, 16, 21, 55) clusters have been investigated based on density funciontal theory (DFT) with the spin polarized generalized gradient approximation, using the Perdew-Burke-Ernzerhof functional.
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Size and structure effects of PtN (N = 12 − 13) clusters for the oxygen reduction reaction: First-principles calculations
TL;DR: The d-band center of PtN clusters shows that the structural dependence plays a decisive factor in the cluster reactivity, and the O and OH adsorption energies on the cluster surface are calculated.
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Structural Evolution of the Rhodium-Doped Silver Clusters AgnRh (n ≤ 15) and Their Reactivity toward NO
TL;DR: In this article, the structural properties of AgnRh (n ≤ 15) clusters were investigated using a successive growth algorithm coupled with density functional theory computations, and the structures of the clusters were revisited, including a detailed discussion of their electronic properties.
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Hydrogen Chemisorption on Pd-Doped Copper Clusters
P.L. Rodríguez-Kessler,Pedro A. Alonso-Dávila,Pedro Navarro-Santos,J.A. Morato-Márquez,Filiberto Ortiz-Chi,A.R. Rodríguez-Domínguez +5 more
TL;DR: The structural evolution, electronic and magnetic properties of Pd-doped Cun (n = 1-12) clusters and the dissociative chemisorption of H2 on the lowest energy structures were investigated in this paper.
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Structures and Electronic Properties of TinV (n = 1–16) Clusters: First-Principles Calculations
TL;DR: Structures and electronic properties of TinV (n = 1-16) clusters have been investigated using density functional theory with the generalized gradient approximatio and it has been shown that the TinV clusters favor compact spherical structures having similar conformations to the pure Tin clusters.