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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/13Proanediol_2Propenol TS_13Propanediol_2PropenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer MethodPBE+U--1145.86308368; eV
thumbnail.jpeg22-Jun-2018/Acetol_PG TS_Acet2OH_PGRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer MethodPBE+U--1146.28320506; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexImproved Dimer MethodDFT--1656.22837727; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1292.75954584; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1208.16560977; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC1 TSmethox_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1331.74583992; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC1 TSmethox_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1247.90481571; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_TDA_to_MC1 TSmethox_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1695.58711987; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC1_to_BC TSmethox_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1650.48795015; eV
thumbnail.jpeg17-Apr-2019/Methoxycarbonylation_of_MC1_to_BC TSmethox_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1735.04999228; eV
Results 11-20 of 69 (Search time: 0.001 seconds).