Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)
Schiavo, Eduardo, Muñoz-García, Ana B., Barone, Vincenzo, Vittadini, Andrea, Casarin, Maurizio, Forrer, Daniel, Pavone, MicheleVolume:
693
Language:
english
Journal:
Chemical Physics Letters
DOI:
10.1016/j.cplett.2018.01.005
Date:
February, 2018
File:
PDF, 1.12 MB
english, 2018