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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 TSdiss_MC2_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1695.60474811; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 TSmethyl_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1650.92054173; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 TSmethyl_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1370.74147582; eV
thumbnail.jpeg17-Apr-2019/PU1_formation TS_MC2_diss_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1611.97648112; eV
thumbnail.jpeg17-Apr-2019/PU1_formation TS_MC2_diss_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1332.45055783; eV
thumbnail.jpeg17-Apr-2019/PU1_formation TS_MC2_diss_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1695.93799195; eV
thumbnail.jpeg17-Apr-2019/DMC_unselective_dissociation TS_dissociation_CH3_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1243.54449495; eV
thumbnail.jpeg17-Apr-2019/DMC_unselective_dissociation TS_dissociation_CH3_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--796.12637180; eV
thumbnail.jpeg17-Apr-2019/DMC_selective_dissociation TS_dissociation_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--1244.86858910; eV
thumbnail.jpeg17-Apr-2019/DMC_selective_dissociation TS_dissociation_110Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexImproved Dimer MethodDFT--797.33200592; eV
Results 31-40 of 69 (Search time: 0.001 seconds).