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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/ThS2(2+) ThS2(2+)_linearBandeira, NunoMolcas; v8.0.14-09-21HFANO-RCC-
thumbnail.jpeg/ThS2(2+) ThS2(2+)_triangularBandeira, NunoMolcas; v8.0.14-09-21HFANO-RCC-
thumbnail.jpeg/ThS2(2+) ThS2(2+)_singlet_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/ThS2(2+) ThS2(2+)_triplet_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/UO2(2+) Triplet_eta2-UO2(2+)_CAS(4,8)PT2Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/UO2(2+) Quintet_eta2-UO2(2+)_CAS(4,8)PT2Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/UO2(2+) Triplet_CAS(4,8)PT2_single_pointBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/US2(2+)/S=0 MP2_Optimisation,_linear_moleculeBandeira, NunoMolcas; v8.0.14-09-21HFANO-RCC-
thumbnail.jpeg/US2(2+)/S=0 CAS(4,8)PT2_single_point_linearBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/US2(2+)/S=0 CAS(4,8)PT2_opt_triangularBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/US2(2+)/S=1 CAS(4,8)PT2_optimisation_tripletBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/US2(2+)/S=1 Triplet_CAS(12,13)PT2Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/US2(2+)/S=2 CAS(4,8)PT2_quintet_optimisationBandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=3 Septet_triangularBandeira, NunoMolcas; v8.0.15-06-18CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=2 Triangular_S=2Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=2 Linear_S=2Bandeira, NunoMolcas; v8.0.15-06-18CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=1 Linear_S=1Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=1 Triangular_S=1Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=0 Linear_S=0Bandeira, NunoMolcas; v8.0.15-06-18CASSCF; CASPT2ANO-RCC-
thumbnail.jpeg/PuS2(2+)/S=0 triangular_S=0_Bandeira, NunoMolcas; v8.0.14-09-21CASSCF; CASPT2ANO-RCC-
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-
Results 1-25 of 27 (Search time: 0.003 seconds).

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