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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Dec-2023pt2_9e13o_1QVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023pt2_9e13o_1DVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023adf-pbe0-d3Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-1.836394; eV
thumbnail.jpeg6-Dec-2023adf-pbe0-d3Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-1.348429; eV
thumbnail.jpeg6-Dec-2023adf-pbe0Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-1.509677; eV
thumbnail.jpeg6-Dec-2023adf-pbe0Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-0.962288; eV
thumbnail.jpeg6-Dec-2023adf-pbe0-d3Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-2.112620; eV
thumbnail.jpeg6-Dec-2023adf-pbe0Vlaisavljevich, BessAMS; 2022.103; r104886Single pointPBETZP-1.717258; eV
thumbnail.jpeg6-Dec-2023pt2_9e13o_1DVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
thumbnail.jpeg6-Dec-2023pt2_9e18o_1QVlaisavljevich, BessMolcas; 23.02Single pointCASSCF; CASPT2ANO-RCC-
Results 11-20 of 126 (Search time: 0.001 seconds).