1. Institute of Chemical Research of Catalonia

Browsing by Author Capdevila-Cortada, Marçal

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Showing results 1 to 20 of 69  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Nov-20181Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.67667134; eV
thumbnail.jpeg5-Nov-201810Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1744.90453972; eV
thumbnail.jpeg5-Nov-201811Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1745.03908288; eV
thumbnail.jpeg5-Nov-201812Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1644.98581747; eV
thumbnail.jpeg5-Nov-201813Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.11465487; eV
thumbnail.jpeg5-Nov-201814Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.01343891; eV
thumbnail.jpeg5-Nov-201815Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.10092586; eV
thumbnail.jpeg5-Nov-20182Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.61506037; eV
thumbnail.jpeg5-Nov-20183Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.35035214; eV
thumbnail.jpeg5-Nov-20184Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.72582003; eV
thumbnail.jpeg5-Nov-20185Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.71058198; eV
thumbnail.jpeg5-Nov-20186Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.66621823; eV
thumbnail.jpeg5-Nov-20187Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.32525414; eV
thumbnail.jpeg5-Nov-20188Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.65378135; eV
thumbnail.jpeg5-Nov-20189Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.68993178; eV
thumbnail.jpeg20-Jul-2017/C2H2_activation 111_C2H2_chemCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1119.24729808; eV
thumbnail.jpeg20-Jul-2017/C2H2_activation 111_C2H2_physCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1117.99139020; eV
thumbnail.jpeg20-Jul-2017/C2H2_activation 111_Ovac_C2H2_chemCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1112.48798172; eV
thumbnail.jpeg20-Jul-2017/C2H2_activation 111_Ovac_C2H2_physCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1111.23630657; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_C2H2+H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.46533575; eV
Showing results 1 to 20 of 69  next >