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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-nondefect-2ce3-pos_30_33-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.05683779; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-oxygen-1ce3-pos_32-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--862.35905568; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-oxygen-1ce3-pos_28-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--862.36283832; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-nondefect-2ce3-pos_33_34-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--856.87443451; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-nondefect-2ce3-pos_32_33-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.12858610; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-nondefect-2ce3-pos_30_35-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.20590989; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Zn/0001 C2H4O2_4Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-nondefect-2ce3-pos_33_36-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--856.86269708; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-2O-M_in_surfvacGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--848.09825512; eV
thumbnail.jpeg25-Jun-2024/Intermediates/Ag/110 CH_1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
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