1. Institute of Chemical Research of Catalonia

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 4550 to 4569 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--494.23802291; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--468.21759830; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-2tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--469.81127330; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--502.89287420; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-c_00-2tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--451.76740280; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--502.88083678; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--486.38967227; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Ags_SH-tc_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--461.27907324; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24CukIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--520.68566278; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Cuk_00-cIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--494.80145751; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Cuk_00-tIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--494.94848906; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Cuk_00-tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--469.20988168; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25 Au24Cuk_SH-2tcIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--471.04395427; eV
Login required18-Mar-2024/Au25_clusters/Ligand_stability_Au25-charged Au23Ag2kIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--519.32909116; eV
Showing results 4550 to 4569 of 62999 < previous   next >