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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_OpenShellSingletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5617.0221507; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppfethene_PhCH2CH2Cl G16_SP_BB_Benzene_OpenShellSingletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5616.9958929; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppfethene_PhCH2CH2Cl G16_SP_BB_Benzene_TripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-5616.979181; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2I_radanion G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-321.6732293; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Br G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.2775077; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Br G16_SP_BB_Benzene_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-7652.2937488; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/PhCH2CH2I_radanion G16_SP_BB_Benzene_as_neutralNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-321.6737633; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2I_radanion G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-321.8520489; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl_solv_opt/PhCH2CH2I G16_SP_BB_BenzeneNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D,P) GENECP-321.7716006; Eh
thumbnail.jpeg25-Aug-2020/Ni_dppf_alkyl/TS_HA_Nidppf2_PhCH2CH2Br G16_SP_BB_Benzene_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYP6-311+G(D,P) GENECP-10911.7167225; Eh
Results 71-80 of 322 (Search time: 0.002 seconds).