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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2019Ni-cod2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-793.6694311; 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+_singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1580.4263952; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 13Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1769.0526315; Eh
thumbnail.jpeg17-Jan-2019/L2 1cFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1334.08443807; Eh
thumbnail.jpeg17-Jan-2019/L2 1dFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1410.04411699; 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.jpeg17-Jan-2019/L2 1c-OHadductFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1410.03311756; Eh
thumbnail.jpeg17-Jan-2019/L2 TS1d-eFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1410.03010161; Eh
Results 31-40 of 308 (Search time: 0.002 seconds).