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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2021TS-B_-D_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1283.13505602; Eh
thumbnail.jpeg11-May-2021E_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1283.24606199; Eh
thumbnail.jpeg11-May-2021MECP-osB_bis-3B_bis-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15455194; Eh
thumbnail.jpeg11-May-2021MECP-B_-3B_bis-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.14707289; Eh
thumbnail.jpeg11-May-2021MECP-3C_-osC_-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15637160; Eh
thumbnail.jpeg11-May-2021osB_bisFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1283.15456674; Eh
thumbnail.jpeg11-May-20213BbisFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1275.55379673; Eh
thumbnail.jpeg11-May-2021DFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1275.61983288; Eh
Login required1-Sep-2023A-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.4804449; Eh
thumbnail.jpeg11-May-2021AFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1125.34282948; Eh
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