Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Maribel Dessens Félix"'
Autor:
Faustino Aguilera-Granja, Alessandro Fortunelli, Alvaro Posada-Amarillas, Maribel Dessens-Félix, Rafael Pacheco-Contreras, J. Octavio Juárez-Sánchez
Publikováno v:
Computational materials science 141 (2018): 30–40. doi:10.1016/j.commatsci.2017.09.022
info:cnr-pdr/source/autori:Pacheco-Contreras, Rafael; Juárez-Sánchez, J. Octavio; Dessens-Félix, Maribel; Aguilera-Granja, Faustino; Fortunelli Alessandro; Posada-Amarillas, Alvaro/titolo:Empirical-potential global minima and DFT local minima of trimetallic Agl<%2Finf>Aum<%2Finf>Ptn<%2Finf> (l + m + n = 13, 19, 33, 38) clusters/doi:10.1016%2Fj.commatsci.2017.09.022/rivista:Computational materials science/anno:2018/pagina_da:30/pagina_a:40/intervallo_pagine:30–40/volume:141
info:cnr-pdr/source/autori:Pacheco-Contreras, Rafael; Juárez-Sánchez, J. Octavio; Dessens-Félix, Maribel; Aguilera-Granja, Faustino; Fortunelli Alessandro; Posada-Amarillas, Alvaro/titolo:Empirical-potential global minima and DFT local minima of trimetallic Agl<%2Finf>Aum<%2Finf>Ptn<%2Finf> (l + m + n = 13, 19, 33, 38) clusters/doi:10.1016%2Fj.commatsci.2017.09.022/rivista:Computational materials science/anno:2018/pagina_da:30/pagina_a:40/intervallo_pagine:30–40/volume:141
Using a basin-hopping global optimization method, an exhaustive global search of the potential energy surface (PES) of trimetallic Ag-Au-Pt clusters is performed at the empirical potential (Gupta) level. The clusters contain a total of N = 13, 19, 33
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02c023745b8a1cc25ca0d934ffd6907f
https://doi.org/10.1016/j.commatsci.2017.09.022
https://doi.org/10.1016/j.commatsci.2017.09.022
Autor:
Marisol Sandoval-Ríos, Carolina López-Suero, Marcelino González Maitland, Maribel Dessens Félix, Cristina G. Reynaga-Peña, José Torres-Frías, Jorge G. Ibanez, Adrián Lozano Garza
Publikováno v:
Journal of Education for Teaching. 44:44-57
This paper focuses on the design and application of a teacher training strategy to promote the inclusive education of students with disabilities in the science classroom, through the creation of ad...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1f718e5e5c85a32290bc58545dfc9a7
https://doi.org/10.1080/02607476.2018.1422620
https://doi.org/10.1080/02607476.2018.1422620
Autor:
J. M. Cabrera-Trujillo, Juan Martín Montejano-Carrizales, Alessandro Fortunelli, Lauro Oliver Paz-Borbón, Alvaro Posada-Amarillas, Rafael Pacheco-Contreras, Maribel Dessens-Félix
Publikováno v:
Computational and theoretical chemistry
info:cnr-pdr/source/autori:Dessens-Félix, Maribel; Pacheco-Contreras, Rafael; Cabrera-Trujillo, J. M.; Montejano-Carrizales, J. M.; Paz-Borbón, Lauro Oliver; Fortunelli, Alessandro; Posada-Amarillas, Alvaro/titolo:Exploring the energy landscape of PtxAu115-x nanoalloys/doi:10.1016%2Fj.comptc.2015.10.021/rivista:Computational and theoretical chemistry (Print)/anno:2015/pagina_da:150/pagina_a:156/intervallo_pagine:150–156/volume:1074
info:cnr-pdr/source/autori:Dessens-Félix, Maribel; Pacheco-Contreras, Rafael; Cabrera-Trujillo, J. M.; Montejano-Carrizales, J. M.; Paz-Borbón, Lauro Oliver; Fortunelli, Alessandro; Posada-Amarillas, Alvaro/titolo:Exploring the energy landscape of PtxAu115-x nanoalloys/doi:10.1016%2Fj.comptc.2015.10.021/rivista:Computational and theoretical chemistry (Print)/anno:2015/pagina_da:150/pagina_a:156/intervallo_pagine:150–156/volume:1074
A detailed structural analysis as a function of chemical composition is performed for the putative global minima of Pt x Au 115− x clusters. Minimum energy structures were obtained thoroughly exploring the energy landscape through the basin-hopping
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b42f6f9f5ffca092b02beedfd7f4e43b
https://doi.org/10.1016/j.comptc.2015.10.021
https://doi.org/10.1016/j.comptc.2015.10.021
Autor:
Giovanni Barcaro, Alvaro Posada-Amarillas, Rafael Pacheco-Contreras, Maribel Dessens-Félix, Alessandro Fortunelli, Luca Sementa
Publikováno v:
Journal of physical chemistry. C 117 (2013): 20967–20974. doi:10.1021/jp406780e
info:cnr-pdr/source/autori:Dessens-Felix M. and Pacheco-Contreras R. and Barcaro G. and Sementa L. and FORTUNELLI A. and Posada-Amarillas A./titolo:Structural Motifs of Bimetallic Pt101-xAux Nanoclusters/doi:10.1021%2Fjp406780e/rivista:Journal of physical chemistry. C/anno:2013/pagina_da:20967/pagina_a:20974/intervallo_pagine:20967–20974/volume:117
info:cnr-pdr/source/autori:Dessens-Felix M. and Pacheco-Contreras R. and Barcaro G. and Sementa L. and FORTUNELLI A. and Posada-Amarillas A./titolo:Structural Motifs of Bimetallic Pt101-xAux Nanoclusters/doi:10.1021%2Fjp406780e/rivista:Journal of physical chemistry. C/anno:2013/pagina_da:20967/pagina_a:20974/intervallo_pagine:20967–20974/volume:117
The evolution of the structure of bimetallic Pt101–xAux (x = 0–101) clusters is theoretically studied as a function of composition. The basin hopping method using the Gupta empirical potential (EP) is used to perform an exhaustive sampling of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b8d0a8db0d0df1c005a1dac6417f2e6
https://doi.org/10.1021/jp406780e
https://doi.org/10.1021/jp406780e
Autor:
Rafael Pacheco-Contreras, Alvaro Posada-Arnarillas, Catalina Cruz-Vazquez, Andreas M. Koster, Maribel Dessens-Félix
Publikováno v:
Journal of Computational and Theoretical Nanoscience. 7:1443-1446
We report a theoretical calculation of the structural properties of neutral PtQPd,, cluster, using density functional theory (DFT) to search for the minimum energy structure and a genetic algorithm (GA) to obtain the initial configuration. The struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e7ee6a6637aab63c31b18c1a432cda6c
https://doi.org/10.1166/jctn.2010.1501
https://doi.org/10.1166/jctn.2010.1501
Autor:
J. Christian Schön, L. Oliver Paz-Borbón, Rafael Pacheco-Contreras, Dora J. Borbón-González, Roy L. Johnston, Maribel Dessens-Félix, Alvaro Posada-Amarillas
Publikováno v:
The journal of physical chemistry. A. 116(21)
The threshold method is used to explore the potential energy surface of the Pt(1)Pd(12) bimetallic cluster, defined by the Gupta semiempirical potential. A set of helical structures, which follow a Bernal tetrahelix pattern, correspond to local minim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fee21294273c3f96e2e3d9b9b424ac69
https://pubmed.ncbi.nlm.nih.gov/22559786
https://pubmed.ncbi.nlm.nih.gov/22559786
Autor:
J. Christian Schön, Martin Jansen, Roy L. Johnston, Dora J. Borbón-González, Rafael Pacheco-Contreras, Maribel Dessens-Félix, Alvaro Posada-Amarillas, Lauro Oliver Paz-Borbón
Publikováno v:
RSC Advances. 3:11571
In this work we present a thorough exploration of the potential energy surface (PES) of Pd-Pt bimetallic nanoparticles at the specific composition Pd12Pt1, using the combination of a genetic algorithm and the threshold method for global optimization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fddb8ffc2cdab1c864cde314c7db7a03
https://doi.org/10.1039/c3ra41477a
https://doi.org/10.1039/c3ra41477a