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Site-specific polarizabilities as predictors of favorable adsorption sites on Nan clusters

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Details

Original languageEnglish
Pages (from-to)80-85
Number of pages6
JournalChemical Physics Letters
Volume503
Issue number1-3
DOIs
Publication statusPublished - 8 Feb 2011
Publication typeA1 Journal article-refereed

Abstract

The adsorption of water and ammonia molecules to Nan (n = 7, 18, and 25) clusters was studied using density functional theory calculations. Calculated adsorption energies are small (