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Joint Experimental and Computational (17)O and (1)H Solid State NMR Study of Ba(2)In(2)O(4)(OH)(2) Structure and Dynamics

[Image: see text] A structural characterization of the hydrated form of the brownmillerite-type phase Ba(2)In(2)O(5), Ba(2)In(2)O(4)(OH)(2), is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H...

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Detalles Bibliográficos
Autores principales:	Dervişoğlu, Rıza, Middlemiss, Derek S., Blanc, Frédéric, Lee, Yueh-Lin, Morgan, Dane, Grey, Clare P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2015
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4547502/ https://www.ncbi.nlm.nih.gov/pubmed/26321789 http://dx.doi.org/10.1021/acs.chemmater.5b00328

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