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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/NpS2(2+)/S=1_2 Linear_NpS2(2+)_CAS(13,13)PT2_optBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=1_2 Eta2-NpS2(2+)_CAS(5,8)PT2_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=3_2 Linear_CAS(13,13)PT2_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=3_2 Eta2-NpS2(2+)_CAS(5,8)PT2_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=3_2 Eta2-NpS2(2+)_CAS(13,13)PT2_single_pointBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=5_2 Eta2-NpS2(2+)_CAS(5,8)PT2_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/NpS2(2+)/S=5_2 Eta2-NpS2(2+)_CAS(13,13)PT2_single_pointBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
Results 1-7 of 7 (Search time: 0.002 seconds).