Browsing by Author "95779dd9-34b1-4aee-8e6b-b3d0a1de404b"
Now showing items 1-6 of 6
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Osorio, Edison; Ferraro, Marta B.; Oña, Ofelia B.; Cárdenas, Carlos; Fuentealba Rosas, Patricio; Tiznado, William (2011)In this work, we present a methodology inspired by criteria of "maximum matching" between the Fukui functions to predict the best interaction between small silicon clusters to form larger ones. The model is based on the ...
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Bazterra, Victor E.; Oña, Ofelia; Caputo, María C.; Ferraro, Marta B.; Fuentealba Rosas, Patricio; Facelli, Julio C. (American Physical Society, 2004)Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using ...
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Oña, Ofelia; Bazterra, Victor E.; Caputo, María C.; Facelli, Julio C.; Fuentealba Rosas, Patricio; Ferraro, Marta B. (2006)This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of medium-size silicon clusters. This is the third report in which a GA coupled with the MSINDO semiempirical molecular ...
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Bazterra, Victor E.; Caputo, María C.; Ferraro, Marta B.; Fuentealba Rosas, Patricio (2002)The static electric dipole polarizability of small Si clusters was investigated. The methods used were based on different techniques to calculate the polarizability. Thus, some methods used the higher-order finite-difference ...
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Tiznado, William; Ona, Ofelia B.; Bazterra, Víctor E.; Caputo, María C.; Facelli, Julio C.; Ferraro, Marta B.; Fuentealba Rosas, Patricio (2005)A recently proposed local Fukui function is used to predict the binding site of atomic hydrogen on silicon clusters. To validate the predictions, an extensive search for the more stable Sin H (n=3-10) clusters has been ...
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Tiznado, William; Oña, Ofelia B.; Caputo, María C.; Ferraro, Marta B.; Fuentealba Rosas, Patricio (2009)A theoretical study of two series of small clusters, Si 3O n-and Si 6O n -(n=1-6), has been carried out. The minimum energy structures were produced adding an electron to neutral species followed by relaxation at the ...