Dramatic Differences between the Energy Landscapes of SiO and SiS Zeotype Materials.

The article discusses the energy landscape of tetrahedral sulfide (TS) materials, which carried out periodic density functional theory (DFT) calculations on SiS materials. It performed similar calculations on silicon dioxide versions of the same crystals where total energies and optimized geometries...

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Detalles Bibliográficos

Publicado en:	Journal of the American Chemical Society Vol. 129; no. 42; pp. 12588 - 12590
Autores principales:	Zwijnenburg, Martijn A., Corà, Furio, Bell, Robert G.
Formato:	Artículo
Publicado:	American Chemical Society 10/24/2007
Materias:	Density functionals Silica Silicon compounds Functional analysis Physical sciences
Acceso en línea:	Ver este registro en EBSCOhost