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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_4360Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2219.11446520; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer2_4440Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2220.10224281; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_2100Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2218.49938687; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_240Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2221.31347576; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_2300Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2220.93079123; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_2340Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2221.62788539; eV
thumbnail.jpeg2-Aug-2018MDsnap_dimer1_2220Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2220.79579300; eV
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/au_metal_ads PU1_ads_Au_111Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--758.98502050; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pd(111)-(3x3)-K-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--310.29043608; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--268.21898329; eV
Results 13081-13090 of 103689 (Search time: 0.011 seconds).