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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I3m-4mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1667.78593920; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 4mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1667.86210072; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 3mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1359.49756405; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-Cl-Second_Reaction-BSSE I2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2679.99006765; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE I5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.25681017; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE I4Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.24652540; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-First_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-I4xm-5mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.11817871; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl TS-I7m-5mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1976.14368165; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl I5mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1976.16372307; Eh
Results 31-40 of 308 (Search time: 0.001 seconds).