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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Geometry_benchmark SubPc-B3LYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RB3LYPCC-PVTZ-1735.95934345; Eh
thumbnail.jpeg/Geometry_benchmark SubPc-CAM-B3LYPEscayola, SilviaGaussian; 16; ES64L-G16RevC.01RCAM-B3LYPCC-PVTZ-1735.28627756; Eh
thumbnail.jpeg/Geometry_benchmark SubPc-w-B97XDEscayola, SilviaGaussian; 16; ES64L-G16RevC.01RwB97XCC-PVTZ-1735.57247870; Eh
thumbnail.jpeg/Geometry_benchmark SubPc-M06-2XEscayola, SilviaGaussian; 16; ES64L-G16RevC.01RM062XCC-PVTZ-1735.46706584; Eh
thumbnail.jpeg/Geometry_benchmark SubPc-TPSSHEscayola, SilviaGaussian; 16; ES64L-G16RevC.01RTPSShCC-PVTZ-1736.05664501; Eh
thumbnail.jpeg/Geometry_benchmark SubPc-LC-wHPBEEscayola, SilviaGaussian; 16; ES64L-G16RevC.01RLC-wHPBECC-PVTZ-1734.83875195; Eh
thumbnail.jpeg/Geometry_benchmark Pc-B3LYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RB3LYPCC-PVTZ-3447.24590499; Eh
thumbnail.jpeg/Geometry_benchmark Pc-CAM-B3LYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-3446.43419557; Eh
thumbnail.jpeg/Geometry_benchmark Pc-w-B97XDEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RwB97XCC-PVTZ-3446.75202211; Eh
thumbnail.jpeg/Geometry_benchmark Pc-M06-2XEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RM062XCC-PVTZ-3446.56681504; Eh
thumbnail.jpeg/Geometry_benchmark Pc-TPSSHEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RTPSShCC-PVTZ-3447.30843097; Eh
thumbnail.jpeg/Geometry_benchmark Pc-LC-wHPBEEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RLC-wHPBECC-PVTZ-3445.67807914; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations ZnPorphyrin_(P)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-2767.78666617; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations ZnPhthalocyanine_(Pc)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-3446.43419557; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations ZnTetrabenzoporphyrin_(TBP)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-3382.23136763; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations ZnPorphyrazine_(Pz)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-2831.96567905; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations ZnSubporphyrin_(ZnSubP)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-2520.61683422; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations Subporphyrin_(SubP)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1226.32338777; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations Subporphyrazine_(SubPz)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1274.43883664; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations Tribenzosubporphyrin_(TBSubP)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1687.15909301; Eh
thumbnail.jpeg/CAM-B3LYP_optimizations Subphthalocyanine_(SubPc)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1735.28627806; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra ZnPorphyrin_(P)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-2767.8013411; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra ZnPhthalocyanine_(Pc)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-3446.449582; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra ZnTetrabenzoporphyrin_(TBP)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-3382.2509545; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra ZnPorphyrazine_(Pz)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-2831.9788515; Eh
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