Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold

Fajin, Jose L C
Teixeira, Filipe
Gomes, Jose R B
Cordeiro, M Natalia D S

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DOI

10.1007/s00214-015-1666-y

Publisher

Springer Science and Business Media LLC

ISSN

1432-881X

Journal

Theoretical Chemistry Accounts

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Abstract

The structure and energetic properties of self-assembled monolayers (SAMs) of alkanethiol derivatives (simple alkanethiols, mercaptoalkanoic acids and aminoalkanethiols with different chain length) a

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Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold

Abstract

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Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold

Abstract

Extracted data

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