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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2021MECP-B_-3B_bis-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.14706163; Eh
thumbnail.jpeg11-May-2021MECP-B-3B-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1275.55702336; Eh
thumbnail.jpeg11-May-2021os-CFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1275.55942465; Eh
thumbnail.jpeg11-May-2021MECP-3C_-osC_-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15632723; Eh
thumbnail.jpeg11-May-2021TS-3B-3CFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM066-31+G(D) GENECP-1275.55303382; Eh
thumbnail.jpeg11-May-20213A_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(D) GENECP-1132.85998450; Eh
thumbnail.jpeg11-May-2021MECP-osB_bis-3B_bis-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15453257; Eh
thumbnail.jpeg11-May-2021TS-osC-EFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM066-31+G(D) GENECP-1275.55808318; Eh
thumbnail.jpeg11-May-2021MECP-B-3B-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1275.55704755; Eh
thumbnail.jpeg11-May-2021MECP-B_-A_-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15053809; Eh
Results 21-30 of 33 (Search time: 0.001 seconds).