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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Tungsten/W4O13_2H W4O13_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-5.54483989; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W6O20_1H W6O20_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.70723752; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo2O7_1H Mo2O7_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Water/H2O H2OPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W11O40_2H W11O40_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-17.59237349; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W5O17_2H W5O17_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-7.42489847; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W7O24_2H W7O24_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-10.53157959; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo9O38_16H Mo9O38_16HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo9O37_14H Mo9O37_14HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo6O27_11H Mo6O27_11HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
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