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Density Functional Theory studies of dehydrogenated and zwitterionic glycine and alanine on Pd and Cu surfaces

✍ Scribed by Joanna N. James; David S. Sholl

Book ID: 103834761
Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 188 KB
Volume: 281
Category: Article
ISSN: 1381-1169
DOI: 10.1016/j.molcata.2007.06.014

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## Abstract The Cu^+^ and Cu^2+^ preferred binding sites on α‐alanine and their affinity values for this amino acid were determined at the density functional level using three different hybrid exchange correlation potentials and the 6–311++G\*\* basis set. The results demonstrated that the two ions