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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-28_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.22742584; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-29_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.22153708; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-30_31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.12156277; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-29_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.26161293; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-29_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.50561744; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-28_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.34858755; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-28_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.25413361; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-29_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.88013970; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-28_29Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.44973251; eV
thumbnail.jpeg1-Mar-2022Ir-2O-2Ce3-28_30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.23143234; eV
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