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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Tungsten/W1O4_1H W1O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.80181827; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W11O40_1H W11O40_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-17.49342009; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W2O7_2H W2O7_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-3.02980293; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W2O7_1H W2O7_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-3.06055492; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W6O22_2H W6O22_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-9.77334841; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W3O11_0H W3O11_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-4.87429787; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W3O11_1H W3O11_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-4.90060731; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo18O65_17H Mo18O65_17HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo6O27_12H Mo6O27_12HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo3O10_6H Mo3O10_6HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
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