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Bands of DFT calculations and experimental results.: (…
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DFT-calculated band structure (left) and density …
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FIG. S3. The DFT band structure along W (0.5, 0.25, 0.75) -L (0.5, 0.5 ...
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Crystal structure, DFT calculated band structure …
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DFT+U band structure and element-projected …
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Calculated DFT+U band structures for m-CuO (…
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Calculated DFT+U band structures for m-CuO (…
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9: Computed result of DFT band structure is plotted along with the ...
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Band structure calculation performed using DFT-LDA of: a) the NaCl (B1 ...
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DFT band structure of NbSe3. Γ = (0, 0, 0), X = (…
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(a) DFT band structure of TlCuCl3, plotted along highsymmetric ...
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DFT band structure calculations and charge d…
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FIG. S2. (a) The band structure of CsPbBr3 from DFT calculation with ...
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a) DFT‐calculated electronic band structures and b) project…
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A DFT structure of the 1⊃(CHCl3) complex The struc…
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DFT calculations. Band structure (a…
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The band structure by DFT calculations of YF3…
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DFT-calculated band structure and density of states (DOS) with various ...
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The DFT calculated elec…
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DFT calculations: Band structure and …
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DFT-calculated data for complexes Ru1-3. | Download Scientific Diagram
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DFT-optimized molecular structures of the complexes [Ru, golden; N ...
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DFT-optimized molecular structures of the compl…
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DFT computed energy profile diagram for the synthesis of Ru(III)-NHC ...
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DFT computed energy profile diag…
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DFT calculations The most stable structure and adsorp…
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DFT-optimized structure of 5 (ora…
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DFT-optimized structure of 5 (orange Ru; green Cu; red O; gray C) with ...
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DFT-calculated energy profile obtained for the Ru(i…
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