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Browsing by Subject C. Ab initio calculations

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PreviewIssue DateTitleAuthor(s)
19-Feb-2010[PEER Project Non-TCD] First principles study of structural stability, electronic and related properties of (NH4)2SO4-
20-Aug-2010[PEER Project Non-TCD] First-principles calculations of electronic, optical and elastic properties of ZnAl2S4 and ZnGa2O4-
28-Jul-2009[PEER Project Non-TCD] Simulation of elastic-and-optical properties of K2SO4 crystals-
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