1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jan-2026/FG_dataset/group2/pt/111 pt-4811-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--355.76236649; eV
thumbnail.jpeg8-Jun-2020/2,4-TDA_to_MC1 TS2Rellán, Marcosvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationDFT--1374.36052925; eV
thumbnail.jpeg8-May-2017Ru-2222García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---357.07410733; eV
thumbnail.jpeg8-May-2017Ru-2522García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---364.74844979; eV
thumbnail.jpeg8-May-2017Ru-2621García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---357.86560877; eV
thumbnail.jpeg8-May-2017Ru-2323García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---363.91787160; eV
thumbnail.jpeg8-May-2017Ru-2225García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---364.19687021; eV
thumbnail.jpeg8-May-2017Ru-2202García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---339.27710814; eV
thumbnail.jpeg8-May-2017Ru-2401García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---345.90187622; eV
thumbnail.jpeg8-May-2017Ru-2021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---350.50726315; eV
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