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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jan-2016Structure_of_the_molecular_triangle_2_(ONIOM)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; BP86; PM66-311G(d,p); LANL2DZ-17.6018727927; Eh
thumbnail.jpeg21-Jun-2019/U_Nb/isodesmic_pair/NbOOH NbOOHPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/isodesmic_pair/UO2 UO2Petrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/4_U/3iso 3isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/4_U/2iso 2isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/4_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/3_U/4iso 4isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/6_U 6_UPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/5_U 5_UPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg21-Jun-2019/U_Nb/2_U/1iso 1isoPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
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