1. Universitat Rovira i Virgili

Browsing by Author Strugovshchikov, Evgenii

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Showing results 309 to 328 of 400 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-2Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.13705116; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-3Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--188.81909562; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-4Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--188.97520250; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.34385523; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-6Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.72585121; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-7Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--189.98916082; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCO-form HCO-8Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--190.17753175; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/HCOO-form HCOO-tsStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexImproved Dimer MethodDFT--196.30279223; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-1Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.75401113; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-2Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.49959209; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-3Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.17354297; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-4Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--179.69787736; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-5Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--179.71603277; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-6Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.12690462; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-7Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.49321913; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_Ni/Energy_profiles/OH-form OH-8Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--180.65709746; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 C-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--165.28126947; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CH-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--169.08427634; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CO-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--172.83613839; eV
thumbnail.jpeg1-Mar-2024/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CO2-hollowStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--179.42252375; eV
Showing results 309 to 328 of 400 < previous   next >