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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
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 TS-3m-I3mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDsdd; 6-31+g*-1667.78161935; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-Cl-First_Reaction-BSSE 2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2371.62558163; 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-OAc-Second_Reaction-BSSE TS-4-I4Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.24663038; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-Cl-First_Reaction-BSSE I1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2371.57317445; 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.jpeg11-Apr-2021/N_sulfonylguanidine cn-ptol-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-689.306958514; 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
Results 91-100 of 1702 (Search time: 0.002 seconds).