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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Apr-2020Capsule_M1Petrus, EnricADF; 2019Geometry optimizationOPBETZP-
Login required8-Apr-202024e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-20201e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202018e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-20206e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202012e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-20200e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-2020Capsule_M2Petrus, EnricADF; 2019Geometry optimizationOPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W4O13_2H W4O13_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-5.54483989; Eh
thumbnail.jpeg2-Mar-2021/Tungsten/W6O20_1H W6O20_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-8.70723752; Eh
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