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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo7O24_2H Mo7O24_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo7O24_1H Mo7O24_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Water/H3O H3OPetrus, EnricADF; 2019Geometry optimizationPBETZP-
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/W4O13_2H W4O13_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-5.54483989; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W1O4_1H W1O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.80181827; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W1O6_7H W1O6_7HPetrus, EnricADF; 2019Single pointPBETZP-
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
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