1. Universitat Rovira i Virgili

Browsing by Author Strugovshchikov, Evgenii

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Showing results 329 to 348 of 400 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 COH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--175.94927025; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 COOH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--183.71693941; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--160.06856296; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2-top-CuStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--163.11294181; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2-top-NiStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--163.50191524; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2O-top-NiStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--170.94711520; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 HCOO-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--183.45815495; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 O-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--163.45819534; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 OH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--167.32139786; eV
thumbnail.jpeg17-Dec-2023ts19_scan_158Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.74405354; eV
thumbnail.jpeg17-Dec-2023ts19_scan_168Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.58253627; eV
thumbnail.jpeg17-Dec-2023ts19_scan_178Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.24752628; eV
thumbnail.jpeg17-Dec-2023ts19_scan_188Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.99215084; eV
thumbnail.jpeg17-Dec-2023ts19_scan_198Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.68548789; eV
thumbnail.jpeg17-Dec-2023ts19_scan_208Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.07684903; eV
thumbnail.jpeg17-Dec-2023ts19_scan_218Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--307.95899110; eV
thumbnail.jpeg17-Dec-2023ts19_scan_228Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.13324565; eV
thumbnail.jpeg17-Dec-2023ts19_scan_248Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.45300801; eV
thumbnail.jpeg17-Dec-2023ts19_scan_268Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--308.67551763; eV
thumbnail.jpeg17-Dec-2023ts28_scan_149Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.54201602; eV
Showing results 329 to 348 of 400 < previous   next >