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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag140_GCN5_72Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--351.29293205; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag140_GCN2_92Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--351.63197268; eV
thumbnail.jpeg24-Oct-20237oxy,_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-20236oxy,_dir_Ag140_6oxy_4foldBruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--380.12314115; eV
thumbnail.jpeg24-Oct-20236oxy,_dir_Ag140_3fold_central_edgesBruix, Albertvasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-onlyGeometry optimizationDFT--379.00532604; eV
thumbnail.jpeg24-Oct-20232oxy,_dir_Ag140_2oxy_foldBruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--357.50350206; eV
thumbnail.jpeg24-Oct-20232oxy,_dir_Ag140_2oxy_4fold_comb2Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--357.57381740; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag140_GCN6_32Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--351.00262888; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag140_GCN4_45Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--351.22643157; eV
thumbnail.jpeg24-Oct-20231oxy,_dir_Ag140_GCN4_08Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--351.63160526; eV
Results 21-30 of 30 (Search time: 0.001 seconds).