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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_6COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--353.18731141; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_1COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--270.65734059; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_7COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--369.07320097; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_2COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--287.24816763; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_4COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--320.06036558; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-CO-v Vacancy_with_5COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--337.03139121; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211) Ni(211)-co_10_12MLPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--417.73297724; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211) Ni(211)-co_6_12MLPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--358.88575235; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211)-v Ni(211)-vPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--254.04983214; eV
thumbnail.jpeg27-Apr-2020/Ni_nanoparticle-dens_CO/Ni(211) Ni(211)-co_11_12MLPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--430.83694003; eV
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