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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Apr-2019/U_Nb/0_U 0_UPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/0_U 0_UPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/1_U 1_UPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/1_U 1_UPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/2_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/2_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/2_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/2_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/2_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/2_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/3_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/3_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/3_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/3_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/3_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/3_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/3_U/4iso 4isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/3_U/4iso 4isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
Login required30-Apr-2019/U_Nb/4_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg21-Jun-2019/U_Nb/4_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-