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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022Me2PhSi_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP GEN-601.1163583; Eh
thumbnail.jpeg24-Jan-2019/Reductive_Elimination TS-7-8Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2083.4997035; Eh
thumbnail.jpeg24-Jan-2019/Reductive_Elimination 7Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2083.5317044; Eh
thumbnail.jpeg24-Jan-2019/Reductive_Elimination 8Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1644.3236948; Eh
thumbnail.jpeg24-Jan-2019_Ru(bpy)3_2+_tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1580.3533694; Eh
thumbnail.jpeg24-Jan-2019_Ru(bpy)3_+_doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1580.5329033; Eh
thumbnail.jpeg24-Jan-2019Aryl_radicalFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-439.7274623; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 7Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2083.5317044; Eh
thumbnail.jpeg26-Oct-2017/THF TS-4-5-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1797.82233890; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me)/Single_Point_Calculations 3I8-SP-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-311++G(d,p)-2234.26974643; Eh
Results 1-10 of 739 (Search time: 0.002 seconds).