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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2021MECP-3C-osC-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1275.55946826; Eh
thumbnail.jpeg11-May-2021EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1275.65490008; Eh
thumbnail.jpeg11-May-2021BFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1275.58678162; Eh
thumbnail.jpeg11-May-2021TS-3B_bis-3B_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM066-31+G(D) GENECP-1283.15224389; 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-2021TD_AFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM06; TD-FC6-31+G(D) GENECP-1125.3428295; Eh
thumbnail.jpeg11-May-2021TS-3B_-3C_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM066-31+G(D) GENECP-1283.15185087; Eh
thumbnail.jpeg11-May-2021TS-3B-AFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM066-31+G(D) GENECP-1275.55904047; Eh
thumbnail.jpeg11-May-2021osC_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1283.15630682; Eh
thumbnail.jpeg11-May-2021TS-B-EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D) GENECP-1275.52880389; Eh
Results 1-10 of 46 (Search time: 0.001 seconds).