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Browsing by Author de Gironcoli, Stefano

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Showing results 1 to 7 of 7
Issue DateTitleAuthor(s)
2002-02-01Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGANarasimhan, Shobhana; de Gironcoli, Stefano
2009-04Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfacesPushpa, Raghani; Ghosh, Prasenjit; Narasimhan, Shobhana; de Gironcoli, Stefano
2009-12Effective coordination number: A simple indicator of activation energies for NO dissociation on Rh(100) surfacesGhosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana
2008-05-12Interplay between bonding and magnetism in the binding of NO to Rh clustersGhosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana
2008-05-12Interplay between bonding and magnetism in the binding of NO to Rh clustersGhosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana
2015Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bandsMammen, Nisha; de Gironcoli, Stefano; Narasimhan, Shobhana
2011-03-09Tuning the Morphology of Gold Clusters by Substrate DopingMammen, Nisha; Narasimhan, Shobhana; de Gironcoli, Stefano
Showing results 1 to 7 of 7