1. Barcelona Supercomputing Center

Browsing by Author Vlaisavljevich, Bess

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Showing results 21 to 40 of 292 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required14-Aug-2023allyl-anionVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-SV(P)-117.2071443159; Eh
Login required14-Aug-2023allyl-radicalVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-SV(P)-117.1544312314; Eh
thumbnail.jpeg6-Dec-2023anion_geom_10e18o_quintetVlaisavljevich, BessMolcas; 23.02Single pointCASSCFANO-RCC-
thumbnail.jpeg6-Dec-2023anion_geom_10e18o_tripletVlaisavljevich, BessMolcas; 23.02Single pointCASSCFANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point0Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point1Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point1Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point1Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point1Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point2Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point2Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point2Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point2Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point3Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point3Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point3Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point3Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
Showing results 21 to 40 of 292 < previous   next >