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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC1_to_BC TSmethox_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1371.04193947; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC2_to_BC TSdiss_MC2_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1610.65180184; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC2_to_BC TSdiss_MC2_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1332.06079980; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC2_to_BC TSdiss_MC2_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1695.54429922; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_TDA_to_MeTDA2 TSmethyl_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1611.25672727; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_TDA_to_MeTDA2 TSmethyl_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1331.21739184; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_TDA_to_MeTDA2 TSmethyl_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1695.03793742; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1712.02089150; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1264.05476600; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1348.03925861; eV
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