Title : Effects of reduced dimensionality on the properties of magnesium hydroxide and calcium hydroxide nanostructures.

Pub. Date : 2017 Jan 18

PMID : 28009877






2 Functional Relationships(s)
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1 In this work, density functional theory (DFT) and self-consistent-charge density-functional tight-binding (SCC-DFTB) methods have been used to investigate the properties of magnesium hydroxide and calcium hydroxide nanostructures. dftb serpin family B member 3 Homo sapiens
2 The accuracy of the DFT methods employed and SCC-DFTB parameters developed in this study were validated against available experimental data. dftb serpin family B member 3 Homo sapiens