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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.338545; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.3486582; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-9029.9661708; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-9029.9450532; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-9029.934611; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.3586433; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8804.3687382; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NiBrdppfPC6H4OMe3+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-9029.9661712; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NiBrdppfSbPh3+rad_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.5096854; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NiBrdppfSbPh3+rad_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.5096503; Eh
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