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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_NiBrHdppf_styrene_MI G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3127462; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_NiIHdppf_styrene_MI G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.5495095; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_3c_Nidppf_PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3517486; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiIHdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-4779.8112573; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/COD G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-312.1423956; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiClHdppf_styrene_isom G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.409515; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/styrene G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-309.7490337; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_Ni_Cl_CH2CH2Ph_dppf_bH_elim G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3941339; 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/NiBrHdppf_styrene_isom G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3326139; Eh
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