Please use this identifier to cite or link to this item:
http://hdl.handle.net/10773/18175| 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 Thiols 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 |
| URI: | http://hdl.handle.net/10773/18175 |
| DOI: | 10.1007/s00214-015-1666-y |
| ISSN: | 1432-2234 |
| Appears in Collections: | CICECO - Artigos |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold_10.1007s00214-015-1666-y.pdf | 2.85 MB | Adobe PDF |  |
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