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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_Br_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10911.7578848; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_Ni_Br_CH2CH2Ph_dppf_bH_elim G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.3187041; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiClHdppf G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5228.6466055; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2_rad G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-310.3093284; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_Cl_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-8797.8335958; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_I_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-8348.9964903; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/NiBrdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.3237617; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_open-dppf_BrCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10911.7622873; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/Ni_dppf_open-dppf+ G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-8027.1884805; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2Cl G16_SP_Benzene_BB_as_radanionNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-770.6109673; Eh
Results 31-40 of 318 (Search time: 0.001 seconds).