1. Institute of Chemical Research of Catalonia

Browsing by Author Capdevila-Cortada, Marçal

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Showing results 21 to 40 of 69 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_C2H3+HCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.58769574; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_C2H4Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1126.81445293; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_Ovac_C2H2+H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1119.77805404; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_Ovac_C2H3+HCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1119.92009434; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C2H4 111_Ovac_C2H4Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1120.17512268; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C4H4 111_Ovac_2xC2H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1136.40784120; eV
thumbnail.jpeg20-Jul-2017/C2H2_to_C4H4 111_Ovac_C4H4Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1137.26456176; eV
thumbnail.jpeg20-Jul-2017/C2H4_to_C2H6 111_Ovac_C2H4+H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1127.73765829; eV
thumbnail.jpeg20-Jul-2017/C2H4_to_C2H6 111_Ovac_C2H5+HCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.85719398; eV
thumbnail.jpeg20-Jul-2017/C2H4_to_C2H6 111_Ovac_C2H6Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.53328432; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1104.20202704; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_adIn_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1106.73826407; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_adIn_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1105.44752190; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1101.59571593; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1101.84560757; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_2xOHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1096.18440432; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1094.78137870; eV
thumbnail.jpeg20-Jul-2017/H2_activation 111_Ovac_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1095.66768709; eV
thumbnail.jpeg20-Jul-2017/surfaces In2O3(111)_2xadInCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1101.58166388; eV
thumbnail.jpeg20-Jul-2017/surfaces In2O3(111)_2xOvac1Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1080.05393331; eV
Showing results 21 to 40 of 69 < previous   next >