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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Aug-2017Pt-1-08-OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---335.29166655; eV
thumbnail.jpeg9-Aug-2017Cu-1-09-OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---181.34706058; eV
thumbnail.jpeg9-Aug-2017Ru-1-09-OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---371.03976002; eV
thumbnail.jpeg9-Aug-2017Pd-1-09-OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---293.86303802; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH/Ureas TS2_1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyImproved Dimer MethodDFT--1332.43311677; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au100CeO2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyImproved Dimer MethodDFT--1598.24438467; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH/Ureas TS2_2_methoxycarbonylationRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyImproved Dimer MethodDFT--2046.16659359; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH/Ureas TS2_2_methylationRellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyImproved Dimer MethodDFT--2045.51466250; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH/Ureas TS1_2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyImproved Dimer MethodDFT--2007.07064471; eV
Login required18-Sep-2019/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au111CeO2Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyImproved Dimer MethodDFT--1597.80502380; eV
Results 501-510 of 521 (Search time: 0.001 seconds).