Data for: Methylbenzenes on graphene

Published: 9 Jan 2018 | Version 1 | DOI: 10.17632/99bhz5tcmp.1

Description of this data

These files are the final positions resulting from density functional theory calculations of methylbenzenes on graphene. The DFT method used is the consistent-exchange van der Waals method vdW-DF-cx. The code Quantum Espresso was used.

Experiment data files

This data is associated with the following publication:

Methylbenzenes on graphene

Published in: Surface Science

Latest version

  • Version 1

    2018-01-09

    Published: 2018-01-09

    DOI: 10.17632/99bhz5tcmp.1

    Cite this dataset

    Schröder, Elsebeth; Borck, Øyvind (2018), “Data for: Methylbenzenes on graphene”, Mendeley Data, v1 http://dx.doi.org/10.17632/99bhz5tcmp.1

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Adsorption

Licence

CC BY NC 3.0 Learn more

The files associated with this dataset are licensed under a Attribution-NonCommercial 3.0 Unported licence.

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You are free to adapt, copy or redistribute the material, providing you attribute appropriately and do not use the material for commercial purposes.

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