1. Barcelona Supercomputing Center

Browsing by Subject oxygen reduction reaction

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Showing results 41 to 60 of 297 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Dec-2023Figure5_Pt304Ni100Zr_relax_-2269_911Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-onlyGeometry optimizationDFT--2269.91144832; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id107_068_relax_-761_302Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--761.30204634; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id108_065_relax_-760_351Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--760.35077157; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id109_069_relax_-760_439Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--760.43855741; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id10_078_relax_-754_85Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--754.85032076; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id110_066_relax_-760_512Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--760.51201829; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id112_070_relax_-760_172Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--760.17249528; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id113_064_relax_-761_482Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--761.48159603; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id114_063_relax_-761_101Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--761.10061853; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id115_071_relax_-761_416Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--761.41591000; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id11_079_relax_-754_885Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--754.88505066; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id120_000_relax_-760_233Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--760.23265864; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id139_031_relax_-747_545Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--747.54543071; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id140_021_relax_-744_403Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--744.40286547; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id141_032_relax_-747_954Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--747.95437271; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id142_003_relax_-744_014Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--744.01388199; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id143_017_relax_-746_604Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--746.60437903; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id144_006_relax_-744_032Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--744.03182227; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id145_002_relax_-745_092Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--745.09238213; eV
thumbnail.jpeg27-Dec-2023FigureA1_nano_id146_044_relax_-747_553Bruix, Albertvasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-onlyGeometry optimizationDFT--747.55349287; eV
Showing results 41 to 60 of 297 < previous   next >