1. Institute of Chemical Research of Catalonia

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Showing results 4678 to 4697 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-S-CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--526.51402633; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-S-CO2_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--529.69000909; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-SH_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--519.19359438; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-SH_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--525.58047421; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-SH_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--530.19664634; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au23Cu2ks_SR-SH_HIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--507.03489220; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-00_COIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--493.49838548; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-00_CO2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlySingle pointDFT--499.46791847; eV
Login required18-Mar-2024/Au25_clusters/Reactivity_Au25 Au24Agk_SH-00_COOHIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--504.07000993; eV
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
Showing results 4678 to 4697 of 63196 < previous   next >