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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 NidppfAsPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7696.7642773; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/AsPh3 AsPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-2930.342451; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NidppfSbPh3_HATS_tripletNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.4759973; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NidppfSbPh3_HATS_ossNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureUM066-311+G(D,P) GENECP-8350.4913827; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4OMe3 NidppfPC6H4OMe32Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-7525.2598034; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 NidppfSbPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5466.3718786; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/SbPh3 SbPh3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-699.9520144; 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/benchmarking/wB97X_D_6_311+Gdp NiCODdppfNelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311+G(D,P) GENECP-5079.2464923; Eh
thumbnail.jpeg30-May-2021/reaction_profiles/PC6H4Me3 NidppfPC6H4Me3Nelson, DavidGaussian; 16; AM64L-G16RevA.03Single point StructureRM066-311+G(D,P) GENECP-5920.2289598; Eh
Results 21-30 of 318 (Search time: 0.001 seconds).