Title : On the Performance of Local Density Approximation in Describing the Adsorption of Electron Donating/Accepting Molecules on Graphene.

Pub. Date : 2012 Oct 8

PMID : 23180902






1 Functional Relationships(s)
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1 However, the LSDA adsorption energy sequence is consistent with that from the PBE-D, TNF~TCNQ>TCNE~DMPD>TTF. tetracyanoethylene ras homolog family member H Homo sapiens