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Browsing by Subject Metalloporphyrins

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Showing results 61 to 80 of 164 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Mar-2023/Method_validation_structures opt_ClH2O_CrIII_porph_DMF_0_1Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023/Method_validation_structures opt_ClH2O_CrIII_porph_DMF_0_3Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Cr_monomer_DMF_-1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Cr_monomer_DMF_-1_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Cr_monomer_DMF_0_1Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Cr_monomer_DMF_0_3Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Mo_monomer_DMF_-1_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Mo_monomer_DMF_-1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Mo_monomer_DMF_-1_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Mo_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Mo_monomer_DMF_1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Os_monomer_DMF_-1_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Os_monomer_DMF_-1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Os_monomer_DMF_-1_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Os_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Os_monomer_DMF_1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Rh_monomer_DMF_0_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Rh_monomer_DMF_0_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Cl_Rh_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_CN_Cr_monomer_DMF_-1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Showing results 61 to 80 of 164 < previous   next >