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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-29_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.94570911; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-29_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.27727545; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-29_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.10075063; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-29_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.94962585; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.17634050; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.73914784; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.40816220; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.02830900; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.86200920; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-30_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.36171519; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-31_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.94786996; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-31_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.16378155; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-31_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.83862051; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-31_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.09928646; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-31_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.17628177; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-32_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.68102194; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-32_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.08785530; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-32_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.87650903; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-32_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--858.72700939; eV
thumbnail.jpeg1-Mar-2022Ir-3O-2Ce3-33_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--859.03858612; eV