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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_H_K-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--532.03181480; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_H_K-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--562.30194938; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_CO2_Cs-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--556.04406211; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_CO2_Cs-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--585.73876278; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_CO2_K-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--556.16624504; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_CO2_K-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--585.86101392; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_H_Cs-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--530.99086542; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_H_Cs-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--561.60784263; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_H_K-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--531.14472437; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au25_SH_H_K-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--561.49481617; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2kIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.32909116; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2k_farIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.35949567; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ksIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.02106755; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.27440471; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.85919444; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--467.94260275; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_farIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.05404321; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_SH-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--502.54040977; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_SH-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--502.58535650; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Ag2ks_SH-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--486.10129350; eV