1. Institute of Chemical Research of Catalonia

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Showing results 4527 to 4546 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ksIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--521.18706612; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--495.24934188; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--495.41598569; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--469.32591388; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_farIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--521.16793808; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_SH-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.68506079; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_SH-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.69246496; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2ks_SH-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--488.19377636; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au23Cu2sIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--521.10656540; eV
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
Showing results 4527 to 4546 of 62999 < previous   next >