title: First-principles calculation of the 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory.
authors.affiliation: Laboratoire de Minéralogie-Cristallographie de Paris, Université Pierre et Marie Curie, 4, place Jussieu, 75252 Paris Cedex, France.
authors.forename: Mickaël
authors.initials: M
authors.lastname: Profeta
authors.forename: Magali
authors.initials: M
authors.lastname: Benoit
authors.forename: Francesco
authors.initials: F
authors.lastname: Mauri
authors.forename: Chris J
authors.initials: CJ
authors.lastname: Pickard