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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2017clean-surface_2x3Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---722.49730642; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_ads_Ag_211Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--481.41221442; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_diss_Ag_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--303.33687722; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_ads_Ag_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--495.29794168; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_ads_Ag_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--304.30598850; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_diss_Ag_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--255.02395781; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_ads_Ag_211Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--433.09459912; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/au_metal_ads MC2_diss_Au_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--670.59798471; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/au_metal_ads BC_ads_Au_100Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--645.98939415; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/au_metal_ads BC_ads_Au_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--710.57331081; eV
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