1. Barcelona Supercomputing Center

Browsing by Subject density functional theory

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Showing results 61 to 80 of 382 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-
thumbnail.jpeg6-Dec-2023anion_quintet_point4Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point4Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023anion_quintet_point4Vlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
Showing results 61 to 80 of 382 < previous   next >