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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NidppfPPh3_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8686.4571573; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 NidppfFcPPh22Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-9675.0990464; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4CF33 NiBrdppfPC6H4CF33+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-9697.5835175; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 NidppfFcPPh2_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-10104.8623129; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NiBrdppfPPh3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8686.4826613; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PCy3 NiBrRdppfPCy3_sqbpNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8697.3530122; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 NidppfFcPPh2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7220.7515685; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NiBrdppfPPh3+rad_recomb_sqbp_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8686.4589972; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4CF33 NidppfPC6H4CF332Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-8860.5038503; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NidppfPPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5802.3427132; Eh
Results 11-20 of 186 (Search time: 0.001 seconds).