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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Ag-2O-1Ce3-32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.91894707; eV
thumbnail.jpeg1-Mar-2022Ag-2O-0Ce3-00Geiger, Julianvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationDFT--853.43616817; eV
thumbnail.jpeg1-Mar-2022Pt-2O-2Ce3-31_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--856.73057411; eV
thumbnail.jpeg1-Mar-2022Pt-2O-2Ce3-35_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.06614643; eV
thumbnail.jpeg1-Mar-2022Ag-2O-1Ce3-29Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.96220567; eV
thumbnail.jpeg1-Mar-2022Ag-2O-1Ce3-30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.81896552; eV
thumbnail.jpeg1-Mar-2022Ag-2O-1Ce3-31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.91899820; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Pt/100 C4H8_2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.31177661; eV
thumbnail.jpeg1-Mar-2022Pt-2O-2Ce3-34_35Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--856.64876533; eV
Login required29-Sep-2025/Single-points/PBE-111kp/Ovac_subsurface cl-o-zro2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-onlySingle pointDFT--1203.57695852; eV
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