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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c5_O2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.80162076; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_MECP_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.79314396; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_O2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-150.298142864; Eh
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
Results 1-10 of 63 (Search time: 0.001 seconds).