Structural and electronic characteristic dataset of the water on basal surface the cis- and trans-vacant variety of a montmorillonite

The data given in the paper refer to the research study “Structure of bound water layer on montmorillonite surface: the role of trans- and cis-vacant sites”. They were obtained using CASTEP based on the density functional theory (DFT) applying a basis set of plane waves and PBE exchange-correlation...

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Bibliographische Detailangaben

1. Verfasser:	Anton Kasprzhitskii
Format:	Dataset
Sprache:	eng
Online-Zugang:	Volltext bestellen
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