1. Institute of Chemical Research of Catalonia

Browsing by Author Ibáñez-Alé, Enric

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Showing results 1 to 20 of 1590  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Feb-2024Au100-CO3radIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.43572729; eV
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au142Ag2kIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au142Ag2ksIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au142Cu2kIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au142Cu2ksIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143AgkIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Agk_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Agk_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Agk_SH-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Agk_SH-1_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Agk_SH-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143AgsIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Ags_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Ags_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Ags_SH-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Ags_SH-1_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Ags_SH-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143CukIbáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Cuk_00-1Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
thumbnail.jpeg14-Jun-2024/Au144_clusters/Au144 Au143Cuk_00-2Ibáñez-Alé, Enricvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--
Showing results 1 to 20 of 1590  next >