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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I1mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1899.58244705; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I4xmFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1976.15148606; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I4mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1976.16639617; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 5mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1666.62642309; Eh
thumbnail.jpeg16-Jul-2018OAcHFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-229.086275769; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE TS-I7-5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.23064401; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-Cl-First_Reaction-BSSE 1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2063.20549335; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-First_Reaction-BSSE 3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-1831.46329430; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I2xm-7mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-2207.89864081; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I5m-I7mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.14024707; Eh
Results 21-30 of 308 (Search time: 0.001 seconds).