1. Institute of Chemical Research of Catalonia

Browsing by Author Dattila, Federico

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Showing results 4909 to 4928 of 5271 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-10-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--362.38496864; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-10-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--347.97550602; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--344.29479624; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.68162345; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--354.62551974; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--339.39268210; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--366.67092828; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-2-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--372.40110122; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-2-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.96840731; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-2-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--361.07654248; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.37426284; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.65906341; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--346.99843009; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--328.71193145; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-3-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--365.33338415; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-3-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--371.25921051; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-3-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--372.93035825; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-3-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.84363878; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-5-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--362.24126487; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-5-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.48781424; eV
Showing results 4909 to 4928 of 5271 < previous   next >