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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2021/Tungsten/W1O4_0H W1O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.79932939; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo1O6_7H Mo1O6_7HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo7O23_1H Mo7O23_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo4O13_1H Mo4O13_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo7O23_0H Mo7O23_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo5O22_7H Mo5O22_7HPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo36O128_34H Mo36O128_34HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W3O10_1H W3O10_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-4.31327507; Eh
thumbnail.jpeg2-Mar-2021/Molybdenum/Mo9O37_14H Mo9O37_14HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg2-Mar-2021/Molybdenum/MoO4_1H MoO4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-
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