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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143AgkIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1925.68107982; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Agk_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1900.40560841; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Agk_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1875.55139916; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Agk_SH-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1909.33680945; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Agk_SH-1_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1884.04386788; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Agk_SH-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1892.97633979; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143AgsIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1925.33430613; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Ags_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1900.56565904; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Ags_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1875.73581277; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Ags_SH-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1909.02657302; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Ags_SH-1_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1884.23925715; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Ags_SH-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1892.72524503; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143CukIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1926.57139083; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cuk_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1901.16060746; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cuk_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1876.56116172; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cuk_SH-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1910.21038874; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cuk_SH-1_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1884.84079941; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cuk_SH-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1893.85837829; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143CusIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1926.55507370; eV
Login required18-Mar-2024/Au144_clusters/Ligand_stability_Au144 Au143Cus_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1901.56011704; eV