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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Apr-2019/OO_O/0_oxyls 0_oxylsPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/OO_O/isodesmic_pair/nbo2 nbo2Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required30-Apr-2019/OO_O/isodesmic_pair/nbo nboPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/U_Nb/2_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/3_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/OO_O/2_oxyls/3iso 3isoPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/OO_O/2_oxyls/2iso 2isoPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/OO_O/1_oxyls/1iso 1isoPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required30-Apr-2019/U_Nb/1_U 1_UPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required30-Apr-2019/U_Nb/3_U/4iso 4isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
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