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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/Ni_dppf_ClCH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3767356; 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_solv_opt/Ni_dppf_ICH2CH2Ph G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.5405705; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_3c_Nidppf_PhCH2CH2Cl G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5538.3521473; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_3c_Nidppf_PhCH2CH2Br G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7652.2820627; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/TS_3c_Nidppf_PhCH2CH2I G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-5089.5262312; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Ni_dppf_open_dppf_e2PhBr G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.0693878; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/TS_OA_Nidppf_PhBr G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7573.6451206; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf_e2PhBr G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-7573.6544586; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_aryl/Nidppf2_OATS G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-10833.066877; Eh
Results 31-40 of 86 (Search time: 0.001 seconds).