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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/Ni_CH2CH2Ph_Br_dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3466178; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_3c_Nidppf_PhCH2CH2Br G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.2816457; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/Ni_dppf_BrCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3034935; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2Cl_radanion G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-770.5057707; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2Br_radanion G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-2884.42999; Eh
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/ethene G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-78.6177377; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_Cl_CHMePh_dppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.4161037; 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
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