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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Jul-2021Nb16O49_8HPetrus, EnricADF; 2019Geometry optimizationPBETZP-23.17226446; Eh
Login required27-Jul-2021Nb24O72_10HPetrus, EnricADF; 2019Geometry optimizationPBETZP-33.96254274; Eh
Login required27-Jul-2021Nb24O72_9HPetrus, EnricADF; 2019Geometry optimizationPBETZP-33.94092967; Eh
Login required27-Jul-2021Nb05O14_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.49207788; Eh
Login required27-Jul-2021Nb04O12_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-5.59479004; Eh
Login required27-Jul-2021NbO3_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.28919126; Eh
Login required27-Jul-2021Nb4O13_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.07776807; Eh
Login required27-Jul-2021Nb6O19_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.89453860; Eh
Login required27-Jul-2021Nb6O19_3HPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
Login required27-Jul-2021Nb4O13_1HPetrus, EnricADF; 2019Single pointPBETZP-
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