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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Tungsten/W6O20_2H W6O20_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.67219182; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W7O24_1H W7O24_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-10.54220033; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W11O40_2H W11O40_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-17.59237349; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W1O6_6H W1O6_6HPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W6O20_1H W6O20_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.70723752; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W12O40_2H_a W12O40_2H_aPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W7O24_0H W7O24_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-10.54030015; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W7O24_2H W7O24_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-10.53157959; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W12O42_0H W12O42_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-18.33332906; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W1O4_0H W1O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.79932939; Eh
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