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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--495.27906198; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--495.69160776; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--469.37245454; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_farIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--521.00554484; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_SH-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.61280941; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_SH-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.58982259; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2s_SH-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--488.10151355; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2sk_farIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--521.14142401; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24AgkIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.70394313; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.91420345; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--494.28934435; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--468.53816440; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-2tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--470.07885106; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--503.16128911; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-c_00-2tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--451.65553545; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--503.19449125; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--486.65799997; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Agk_SH-tc_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--461.31078268; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24AgsIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.37735028; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.63691302; eV