1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat10_TS4synsi_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5204005; Eh
thumbnail.jpeg2-May-2019cat10_TS4synsiBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1861.37034077; Eh
thumbnail.jpeg28-Nov-2017ol-AuPt-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---213.09101671; eV
thumbnail.jpeg28-Nov-2017ol-AuNi-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---177.61269177; eV
thumbnail.jpeg28-Nov-2017ol-AuRu-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---214.15481860; eV
thumbnail.jpeg28-Nov-2017ol-AuOs-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---234.93925460; eV
thumbnail.jpeg2-May-2019cat8_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5504135; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5465045; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5476735; Eh
thumbnail.jpeg2-May-2019cat8_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.39128569; Eh
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