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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Aug-2021epo2-Rh-Cl0Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2019.35051880; eV
thumbnail.jpeg19-Aug-2021epo2-Pt-Cl0Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2018.03253486; eV
thumbnail.jpeg19-Aug-2021rol3-Au-Cl1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1973.02722017; eV
thumbnail.jpeg19-Aug-2021epo2-Pt-Cl1Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2022.42934247; eV
thumbnail.jpeg19-Aug-2021epo2-Pt-Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2025.61182873; eV
thumbnail.jpeg19-Aug-2021rol3-Pt-Cl3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1983.22436654; eV
thumbnail.jpeg19-Aug-2021oxides-RuO2-surf110Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--716.16991998; eV
thumbnail.jpeg19-Aug-2021oxides-RhO2-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--40.54132005; eV
thumbnail.jpeg19-Aug-2021111-Ru-Ru_ac_breakingFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1322.12566227; eV
thumbnail.jpeg19-Aug-2021oxides-IrO2-surf110Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--679.42715783; eV
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