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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE 4Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2139.88688426; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-4m-I4xmFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.14790213; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I7mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1976.15255387; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I3mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1667.79712378; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 1mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1591.26859947; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 7mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1898.38970278; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-First_Reaction-BSSE TS-3-I3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2139.81446564; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE I7Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.24329919; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I1m-2mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1899.57150345; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-1m-I1mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1899.57084332; Eh
Results 11-20 of 308 (Search time: 0.001 seconds).