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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Co-4O-600K_10ps_1fs-13Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyAb-Initio Molecular DynamicsDFT--382.17848980; eV
thumbnail.jpeg1-Mar-2022111-3x3-Cu-2OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--652.66884086; eV
thumbnail.jpeg1-Mar-2022111-3x3-Ir-3OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--655.68328502; eV
thumbnail.jpeg1-Mar-2022111-3x3-Pd-2OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--654.06461857; eV
thumbnail.jpeg1-Mar-2022110-2x2-Rh-4OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--579.10066066; eV
thumbnail.jpeg1-Mar-2022111-3x3-Ag-3OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--652.39057475; eV
thumbnail.jpeg1-Mar-2022Rh-4O-600K_10ps_1fs-14Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyAb-Initio Molecular DynamicsDFT--381.55133543; eV
thumbnail.jpeg1-Mar-2022Rh-4O-600K_10ps_1fs-17Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyAb-Initio Molecular DynamicsDFT--380.79341491; eV
thumbnail.jpeg1-Mar-2022Rh-4O-600K_10ps_1fs-20Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyAb-Initio Molecular DynamicsDFT--381.98861625; eV
thumbnail.jpeg1-Mar-2022111-3x3-Ni-2OGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--654.13740735; eV
Results 60731-60740 of 104157 (Search time: 0.04 seconds).