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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Tungsten/W12O42_2H W12O42_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-18.47941202; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W6O22_0H W6O22_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-9.67521142; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo6O27_11H Mo6O27_11HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo3O10_2H Mo3O10_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo6O20_2H Mo6O20_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo18O65_16H Mo18O65_16HPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo3O10_1H Mo3O10_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo5O16_1H Mo5O16_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo5O17_2H Mo5O17_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo1O6_6H Mo1O6_6HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
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