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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Dec-2023Ni100Pt305_-2264_298Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-onlyGeometry optimizationDFT--2264.29788819; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id166_026_relax_-747_366Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--747.36597758; eV
thumbnail.jpeg27-Dec-2023Figure1_Pt305Ni100_-2264_298Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-onlyGeometry optimizationDFT--2264.29788819; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id170_027_relax_-744_264Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--744.26359501; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id169_024_relax_-753_371Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--753.37097483; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id148_034_relax_-742_638Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--742.63800931; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id149_047_relax_-749_372Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--749.37177070; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id91_052_relax_-764_687Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--764.68738706; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id90_050_relax_-761_991Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--761.99059395; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id9_077_relax_-754_884Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--754.88377221; eV
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