Browsing by Author Escayola, Silvia

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Showing results 1 to 20 of 104  next >
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegB3LYP_complex_l132Escayola, SilviaGaussian; 16; ES64L-G16RevA.03RB3LYPLANL2DZ 6-311++G(D,P) GEN-2435.3786735; Eh
thumbnail.jpegB3LYP_complex_l95Escayola, SilviaGaussian; 16; ES64L-G16RevA.03RB3LYPLANL2DZ 6-311++G(D,P) GEN-2356.6989743; Eh
thumbnail.jpegC2_t_C7Br7+3_BLYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03UBLYP6-311+G(D,P)-18284.3770665; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra Subphthalocyanine_(SubPc)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-1735.2959444; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra Subporphyrazine_(SubPz)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-1274.4479959; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra Subporphyrin_(SubP)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-1226.3341395; Eh
thumbnail.jpeg/CAM-B3LYP_absoption_spectra Tribenzosubporphyrin_(TBSubP)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-1687.1713855; 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 ZnPorphyrazine_(Pz)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-2831.9788515; 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 ZnSubporphyrin_(ZnSubP)_TD-CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYP; TD-FCCC-PVTZ-2520.6422788; 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.jpegCAM-B3LYP_complex_l132Escayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPLANL2DZ DEF2TZVP GEN-2434.5357922; Eh
thumbnail.jpegCAM-B3LYP_complex_l95Escayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPLANL2DZ DEF2TZVP GEN-2355.9078095; 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_optimizations Subporphyrazine_(SubPz)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1274.43883664; 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 Tribenzosubporphyrin_(TBSubP)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-1687.15909301; 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 ZnPorphyrazine_(Pz)_CAM-B3LYP_cc-pvtzEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCAM-B3LYPCC-PVTZ-2831.96567905; Eh
Showing results 1 to 20 of 104