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)

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)

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 693, February 2018, Pages 28-33

Eduardo Schiavo, Ana B. Muñoz-García, Vincenzo Barone, Andrea Vittadini, Maurizio Casarin, Daniel Forrer, Michele Pavone,