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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Dec-20231_propylideneStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.83599934; eV
thumbnail.jpeg17-Dec-20232_propylideneStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.61834220; eV
thumbnail.jpeg17-Dec-20231_propylStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--310.08363478; eV
thumbnail.jpeg17-Dec-20232_propylStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--309.90685069; 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 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 OH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--167.32139786; 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 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 COOH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--183.71693941; eV
Results 321-330 of 627 (Search time: 0.001 seconds).