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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/NiBrdppf2_Phrad G16_SP_BB_Benzene_OpenShellSingletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0711199; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf2_HATS G16_SP_BB_Benzene_OpenShellSingletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0640357; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/NiBrdppf2_Phrad G16_SP_BB_Benzene_TripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0802333; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_Ph_Br G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0902637; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf2_HATS G16_SP_BB_Benzene_TripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0479431; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_BrPh G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0871328; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf G16_SP_Benzene_BB_as_cationNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5079.7829167; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Nidppf2 G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.2252504; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCODdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5079.9368876; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_open-dppf+ G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.1884805; Eh
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