Data for: Methylbenzenes on graphene
Published: 9 January 2018| Version 1 | DOI: 10.17632/99bhz5tcmp.1
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.