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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Nidppf2 G16_SP_BB_Benzene_as_cationNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-8027.0848296; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiIdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5089.5623367; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/NiIdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5089.5623318; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Br G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.2756606; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.344538; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Br G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.2949918; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5538.3655393; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2I G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5089.5199112; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2I G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5089.5389489; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2Cl G16_SP_BB_Benzene_as_radical_anionNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-770.6115222; Eh
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