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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_CeO2 MC2_ads_Ag111CeO2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1579.60075737; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 Adsorbed_MC2_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1332.52070644; 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 Adsorbed_MC2_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1695.88128276; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 Dissociated_MC2_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1332.24758823; eV
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 Dissociated_MC2_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1695.76920938; eV
thumbnail.jpeg17-Apr-2019/Methylation_of_MC2_to_MeMC4 TSdiss_MC2_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1332.18471493; eV
thumbnail.jpeg17-Apr-2019/PU1_formation MC2_ads_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1332.64914635; eV
thumbnail.jpeg17-Apr-2019/PU1_formation MC2_ads_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1695.98424582; eV
Results 271-280 of 583 (Search time: 0.002 seconds).