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Title: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold
Author: Fajin, Jose L C
Teixeira, Filipe
Gomes, Jose R B
Cordeiro, M Natalia D S
Keywords: Gold (111) surface
Periodic density functional theory
van der Waals effects
Issue Date: 2015
Publisher: Springer
Abstract: The structure and energetic properties of self-assembled monolayers (SAMs) of alkanethiol derivatives (simple alkanethiols, mercaptoalkanoic acids and aminoalkanethiols with different chain length) ad
Peer review: yes
DOI: 10.1007/s00214-015-1666-y
ISSN: 1432-2234
Appears in Collections:CICECO - Artigos

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