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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Apr-2019/U_Nb/4_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/isodesmic_pair/NbOOH NbOOHPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/isodesmic_pair/UO2 UO2Petrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/4_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/4_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/3_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/OO_O/1_oxyls/2iso 2isoPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/OO_O/3_oxyls/1iso 1isoPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/U_Nb/2_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/6_U 6_UPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
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