1. Institute of Chemical Research of Catalonia

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Showing results 4804 to 4823 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-00_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--481.60219948; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--500.80277005; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--507.92790292; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--512.32873729; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-SH_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--489.27427512; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SR-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--517.70063410; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SR-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--524.54584804; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SR-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--528.91037776; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SR-SH_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--505.85722849; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-00_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.36697706; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-00_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--499.63990605; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-00_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.10609547; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-00_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--481.33317584; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--500.47831112; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--507.50302236; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--511.60654537; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SH-SH_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--488.39103374; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SR-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--517.40253907; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SR-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--524.08850417; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Ags_SR-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--528.18387229; eV
Showing results 4804 to 4823 of 63313 < previous   next >