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Ab-initio investigation of Rb substitution in KTP single crystal
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10.1063/1.5000242 |
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Effects of nanostructuring on luminescence properties of SrS CeSm phosphor An experimental and phenomenological study
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10.1016/j.optmat.2017.10.041 |
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A neural-network potential through charge equilibration for WS2 From clusters to sheets
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10.1063/1.5003904 |
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First-principles insights into role of hydrogen atom in black titania
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10.1016/j.commatsci.2017.07.014 |
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Calculated structural and electronic interactions of the nano dye molecule Ru(4 4COOH2 2bpy) 2 (NCS) 2 (N3) with a iodide/triiodide redox shuttle
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10.1016/j.cap.2017.04.013 |
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Calculated structural and electronic interactions of the nano dye molecule Ru(4 4 -COOH - 2 2 - bpy)2(NCS)2( N3) with a iodide/triiodide redox shuttle
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Stable isomers and electronic vibrational and optical properties of WS2 nano-clusters A first-principles study
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10.1063/1.4968038 |
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Size effects on the structural electronic and optical properties of (5 0) finite-length carbon nanotube An ab-initio electronic structure study
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10.1063/1.4955221 |
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Density functional study of CaN monolayer on Si(001)
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10.1016/j.jmmm.2015.08.069 |
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First-principles calculation of semiclassical thermoelectric properties of (AgSbSe2)n(AgSbTe2)n superlattices
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Density-functional study of the pure and palladium doped small copper and silver clusters
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First-principles insights into f magnetism A case study on some magnetic pyrochlores
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Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N
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Twin boundary energy and characterization of charge redistribution near the twin boundaries of cupperate superconductors
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Thermoelectric properties of AgSbTe2 from first-principles calculations
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First-principles insights into interaction of Au with small Co clusters
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D0 magnetism in Ca doped narrow carbon nanotubes First principle chirality effect study
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Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface
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First-principles insights into interaction of CO NO and HCN with Ag8
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Density functional study of CaN mono and bilayer on Cu(001)
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