Site-specific polarizabilities as predictors of favorable adsorption sites on Nan clusters
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Details
| Original language | English |
|---|---|
| Pages (from-to) | 80-85 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 503 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 8 Feb 2011 |
| Publication type | A1 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 (