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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2023TS2_A_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4033095; Eh
thumbnail.jpeg15-Feb-2023TS4_A_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4005086; Eh
thumbnail.jpeg15-Feb-2023C_1A_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4081616; Eh
thumbnail.jpeg15-Feb-2023C2A_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4034434; Eh
thumbnail.jpeg15-Feb-2023D₁_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4182785; Eh
thumbnail.jpeg15-Feb-2023D₂_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-3705.4369573; Eh
thumbnail.jpeg15-Feb-2023F_(SP)Sharma, Akhilesh KumarGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GENECP-1638.451569; Eh
Login required24-Jul-2023/Isomerization_SP TS2_Iso_SPApaloo-Messan, EdmondGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5012525; Eh
Login required24-Jul-2023/Isomerization_SP TS1_Iso_SPApaloo-Messan, EdmondGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5006829; Eh
Login required24-Jul-2023/Isomerization_SP Intermediate2_SPApaloo-Messan, EdmondGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5584805; Eh
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