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Published in 2020 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-020-02594-z
Abstract: We perform density functional theory calculations to investigate the adsorption properties of diphenylalanine on pristine graphene. We use PBE exchange–correlation functional with corrections for van der Waals interactions (PBE-D3) during the calculations. The formation of…
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Keywords:
pristine graphene;
diphenylalanine pristine;
adsorption;
graphene ... See more keywords