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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-30_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.41297153; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-surfvac-2ce3-pos_28_31-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--850.55767094; eV
thumbnail.jpeg24-Aug-2020ceo2_111_pristineGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--289.24834594; eV
thumbnail.jpeg1-Mar-2022Cu-4O-1Ce3-36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.58064700; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.12988058; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.43150222; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.30946711; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.04486621; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.21142865; eV
thumbnail.jpeg1-Mar-2022Pt-4O-2Ce3-28_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.43999361; eV
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