Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study

Bibliographic Details
Main Authors: Demichelis, Raffaella, Civalleri, B., D'Arco, P., Dovesi, R.
Format: Journal Article
Published: John Wiley & Sons Inc 2010
Online Access:http://hdl.handle.net/20.500.11937/17775