1. Institute of Chemical Research of Catalonia

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Showing results 11795 to 11814 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx Cu₂-dep-Zn₅ZrOx-bMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1720.04303643; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx Cu₃-dep-Zn₅ZrOxMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1723.21103874; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx Cu₄-dep-Zn₅ZrOxMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1726.68800279; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1716.15427454; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1716.48105618; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1715.93835914; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1716.18905451; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1715.72090926; eV
thumbnail.jpeg5-Sep-2023/Cu-ZnZrOx/Cu-Zn5ZrOx-configurations Cu-Zn₅ZrOx-conf6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1716.79360957; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1756.48723822; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1756.79204230; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1757.03811713; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1756.66543981; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1756.68224610; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1756.72163689; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₄ZrOx-configurations Cu-Zn₄ZrOx-conf1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1736.64661867; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₄ZrOx-configurations Cu-Zn₄ZrOx-conf2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1736.85598433; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₄ZrOx-configurations Cu-Zn₄ZrOx-conf3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1736.79696844; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₄ZrOx-configurations Cu-Zn₄ZrOx-conf4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1737.31260703; eV
thumbnail.jpeg5-Feb-2024/Cu-ZnZrOx/Cu-Zn₄ZrOx-configurations Cu-Zn₄ZrOx-conf5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1736.96562592; eV
Showing results 11795 to 11814 of 63313 < previous   next >