Crystal engineering using functionalized adamantane

We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blen...

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Veröffentlicht in:Journal of physics. Condensed matter 2010-08, Vol.22 (31), p.315303-315303
Hauptverfasser: Garcia, J C, Assali, L V C, Machado, W V M, Justo, J F
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Sprache:eng
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