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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-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
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-2021E_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1283.24606199; Eh
thumbnail.jpeg11-May-2021D_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D) GENECP-1283.21646217; Eh
Results 281-290 of 308 (Search time: 0.002 seconds).