Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals
Otero-de-la-Roza, Alberto, LeBlanc, Luc M., Johnson, Erin RLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00550
Date:
August, 2019
File:
PDF, 3.46 MB
english, 2019