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The adsorption configuration of a chiral amino alcohol, Dalaninol, on Cu(100) is studied with DFT ab‐initio calculations. We address the case of the formation of a self‐assembled monolayer that is experimentally found when depositing the molecule at room temperature. Preliminary calculations are performed for a cluster of four isolated molecules in gas phase, both at the MP2 and GGA‐DFT level. Further...
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