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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2Br G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-2884.5356709; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_Ni_I_CH2CH2Ph_dppf_bH_elim G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.5574275; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiBrHdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7342.5717786; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-3259.3978092; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_open-dppf_ClCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8797.8420692; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_Br_CHMePh_dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3410576; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiClHdppf_styrene G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.413939; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-770.6126604; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiIHdppf_styrene_isom G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.569754; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2I G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-321.771659; Eh
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