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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-topStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.64375726; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-1Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.54364776; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-2Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.34983610; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-3Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.38371447; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-4Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.45796088; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.50277743; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-6Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.50619779; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-7Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.50545459; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-8Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.49295973; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 CO2-top-9Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--192.45555156; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 COH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.60110485; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 COOH-topStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--196.25328624; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 H-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--177.34986978; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 H2-topStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--176.63716073; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 H2O-topStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--184.15544477; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 HCO-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.57334613; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 HCOO-top-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--196.65280775; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 HCOOH-topStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--199.62038742; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 O-H-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.85937931; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Adsorption_energies/Ni100 O-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--176.94312250; eV