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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2022Au-2O-2Ce3-29_33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.63065893; eV
thumbnail.jpeg1-Mar-2022Ag-2O-2Ce3-33_36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.82972743; eV
thumbnail.jpeg1-Mar-2022Au-2O-2Ce3-31_32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.56136313; eV
thumbnail.jpeg1-Mar-2022Ag-2O-2Ce3-29_30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.95962057; eV
thumbnail.jpeg1-Mar-2022Ag-2O-1Ce3-36Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.81797557; eV
thumbnail.jpeg1-Mar-2022Ag-2O-2Ce3-29_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.96047937; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Os/0001 CMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg1-Mar-2022Ag-2O-2Ce3-32_34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--853.96271579; eV
thumbnail.jpeg19-Mar-2026/AsMo As01Mo05O19-1H-iso-0Buils, JordiADF; 2019Geometry optimizationPBETZP-7.64064919; Eh
Login required26-Aug-2024geom21_aa_AGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-31G-6868.1287184; Eh
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