Data for: Methylbenzenes on graphene

Published: 9 January 2018| Version 1 | DOI: 10.17632/99bhz5tcmp.1
Contributors:
Elsebeth Schröder, Øyvind Borck

Description

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.

Files

Categories

Adsorption

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