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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiCldppfethene_+_PhCH2CH2_rad G16_SP_BB_Benzene_TripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5617.0221513; Eh
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_solv_opt/PhCH2CH2Br_radanion G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-2884.604886; 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/PhCH2CH2Cl_radanion G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-770.6746527; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiBrdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.3242228; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2I G16_SP_BB_Benzene_as_radical_anionNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-321.8002357; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiCldppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.3996647; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Br G16_SP_BB_Benzene_as_radical_anionNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-2884.5514898; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.3661768; Eh
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