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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2021EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1275.65490008; Eh
thumbnail.jpeg11-May-2021DFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1275.61983288; Eh
thumbnail.jpeg11-May-2021AFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1125.34282948; Eh
thumbnail.jpeg11-May-2021TS-B-EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1275.52880389; Eh
thumbnail.jpeg11-May-2021TS-B-DFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1275.53672072; Eh
thumbnail.jpeg11-May-2021TS-D-EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1275.60360048; Eh
thumbnail.jpeg11-May-2021TS-B_-E_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1283.11762520; Eh
thumbnail.jpeg11-May-2021TS-D_-E_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1283.20390852; Eh
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-2021B_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1283.15473776; Eh
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