1. Institute of Chemical Research of Catalonia

Browsing by Author Fako, Edvin

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Showing results 1 to 20 of 2304  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Aug-2021111-Au-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--534.81001932; eV
thumbnail.jpeg19-Aug-2021111-Au-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--15.58874566; eV
thumbnail.jpeg19-Aug-2021111-Au-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--511.29202645; eV
thumbnail.jpeg19-Aug-2021111-Ir-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1309.94882299; eV
thumbnail.jpeg19-Aug-2021111-Ir-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--38.25207807; eV
thumbnail.jpeg19-Aug-2021111-Ir-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1284.07580028; eV
thumbnail.jpeg19-Aug-2021111-Pd-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--796.30436028; eV
thumbnail.jpeg19-Aug-2021111-Pd-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--23.18509539; eV
thumbnail.jpeg19-Aug-2021111-Pd-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--770.97436395; eV
thumbnail.jpeg19-Aug-2021111-Pd-hclFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--778.73749813; eV
thumbnail.jpeg19-Aug-2021111-Pt-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--940.89901672; eV
thumbnail.jpeg19-Aug-2021111-Pt-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--27.57177529; eV
thumbnail.jpeg19-Aug-2021111-Pt-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--915.30200545; eV
thumbnail.jpeg19-Aug-2021111-Rh-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1074.93326445; eV
thumbnail.jpeg19-Aug-2021111-Rh-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--31.45690179; eV
thumbnail.jpeg19-Aug-2021111-Rh-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1049.11309759; eV
thumbnail.jpeg19-Aug-2021111-Ru-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1321.68020577; eV
thumbnail.jpeg19-Aug-2021111-Ru-bulkFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--19.48831878; eV
thumbnail.jpeg19-Aug-2021111-Ru-cleanFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1295.39602447; eV
thumbnail.jpeg19-Aug-2021111-Ru-Ru_ac_breakingFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1322.12566227; eV
Showing results 1 to 20 of 2304  next >