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Now showing items 1-7 of 7

Interplay between bonding and magnetism in the binding of NO to Rh clusters

Ghosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana (American Institute of Physics, 2008-05-12)
Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfaces

Pushpa, Raghani; Ghosh, Prasenjit; Narasimhan, Shobhana; de Gironcoli, Stefano (American Physical Society, 2009-04)
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA

Narasimhan, Shobhana; de Gironcoli, Stefano (American Physical Society, 2002-02-01)
Interplay between bonding and magnetism in the binding of NO to Rh clusters

Ghosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana (American Institute of Physics, 2008-05-12)
Effective coordination number: A simple indicator of activation energies for NO dissociation on Rh(100) surfaces

Ghosh, Prasenjit; Pushpa, Raghani; de Gironcoli, Stefano; Narasimhan, Shobhana (American Physical Society, 2009-12)
Tuning the Morphology of Gold Clusters by Substrate Doping

Mammen, Nisha; Narasimhan, Shobhana; de Gironcoli, Stefano (American Chemical Society, 2011-03-09)
Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands

Mammen, Nisha; de Gironcoli, Stefano; Narasimhan, Shobhana (American Institute of Physics, 2015)

Now showing items 1-7 of 7