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 4510 to 4529 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SR-SR_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1947.42983074; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SR-SR_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1951.56357340; eV
Login required18-Mar-2024/Au144_clusters/Reactivity_Au144 Au144_SR-SR_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--1928.59123529; eV
Login required22-May-2023/Au25_clusters Au25Cu(SR)18_Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--520.02389728; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_CO2_Cs-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--556.51965537; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_CO2_Cs-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--586.14234641; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_CO2_K-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--556.62360455; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_CO2_K-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--586.24783446; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_H_Cs-3H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--531.25150873; eV
Login required18-Mar-2024/Au25_clusters/Cation_effect Au24Cus_SH_H_Cs-5H2OIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--562.14535650; eV
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
Showing results 4510 to 4529 of 63063 < previous   next >