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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_TripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10833.0802333; Eh
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_alkyl/NiCODdppf G16_SP_Benzene_BB_as_cationNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5079.7829167; Eh
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