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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Oct-2023/Single_Point IV_c11_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5752059; Eh
Login required30-Oct-2023/Single_Point IV_c12_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5744613; Eh
Login required30-Oct-2023/Single_Point IV_c15_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5731715; Eh
Login required30-Oct-2023/Single_Point IV_c16_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5715037; Eh
Login required30-Oct-2023/Single_Point IV_c14_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5726457; Eh
Login required30-Oct-2023/Single_Point IV_c17_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5731104; Eh
Login required30-Oct-2023/Single_Point IV_c13_SPSharma, Akhilesh KumarGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ GENECP-1124.5731833; Eh
thumbnail.jpeg26-Feb-2024ch3cooch3-bpin-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-522.522833484; Eh
thumbnail.jpeg26-Feb-2024ch3cooch3-ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-308.360261200; Eh
thumbnail.jpeg26-Feb-2024ch3cooch3-cch-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-345.236219247; Eh
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