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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 NidppfFcPPh2BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-10104.8960823; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PPh3 NidppfPPh32Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-6838.2918755; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4CF33 NidppfPC6H4CF33BrRNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-9697.5981253; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/FcPPh2 FcPPh2Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-2454.3240349; 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/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/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
thumbnail.jpeg30-May-2021/reaction_profiles/PMe3 PMe3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-461.0186095; Eh
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