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期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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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:	Profeta Mickaël Benoit Magali Mauri Francesco Pickard Chris J

Institution:	Laboratoire de Minéralogie-Cristallographie de Paris, Université Pierre et Marie Curie, 4, place Jussieu, 75252 Paris Cedex, France.

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