Data for: Methylbenzenes on graphene

Published: 09-01-2018| 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.