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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-2023edge,_dir_Ag140_30oxy_8edgesBruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--517.32607540; eV
thumbnail.jpeg24-Oct-2023more_than_7_edge,_dir_Ag140_9oxy_downBruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--397.10152084; eV
thumbnail.jpeg24-Oct-2023more_than_7_edge,_dir_Ag140_70xy_most_stableBruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--385.82544013; eV
thumbnail.jpeg24-Oct-2023o_2oxy,_dir_Ag20_2oxy_prova1Bruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--52.91088956; eV
thumbnail.jpeg24-Oct-2023O2,_dir_Ag20_abs7Bruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--52.16419245; eV
thumbnail.jpeg24-Oct-2023O2,_dir_Ag20_abs10Bruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--52.15806663; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag20_GCN_2_67Bruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--47.67639562; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag20_GCN_1_73Bruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--47.53294686; eV
thumbnail.jpeg24-Oct-2023more_than_7_edge,_not_most_stable_dir_Ag140_7oxyBruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--385.68228784; eV
thumbnail.jpeg24-Oct-2023o_2oxy,_dir_Ag20_2oxy_SamefacetsBruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--53.02334139; eV
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