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Showing results 108818 to 108837 of 111262 < previous   next >
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/C2H2_activation 111_C2H2_chemCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1119.24729808; eV
thumbnail.jpeg/C2H2_activation 111_C2H2_physCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1117.99139020; eV
thumbnail.jpeg/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.jpeg/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.jpeg/C2H2_to_C2H4 111_C2H2+H2Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1128.46533575; eV
thumbnail.jpeg/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.jpeg/C2H2_to_C2H4 111_C2H4Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1126.81445293; eV
thumbnail.jpeg/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.jpeg/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.jpeg/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.jpeg/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.jpeg/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.jpeg/C2H4_chlorination/1 finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----914.41992707; eV
thumbnail.jpeg/C2H4_chlorination/1 initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----914.55569878; eV
thumbnail.jpeg/C2H4_chlorination/2 finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----918.60173475; eV
thumbnail.jpeg/C2H4_chlorination/2 initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----918.83023916; eV
thumbnail.jpeg/C2H4_chlorination/3 finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----914.62803150; eV
thumbnail.jpeg/C2H4_chlorination/3 initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----918.60173475; eV
thumbnail.jpeg/C2H4_chlorination/4a finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----917.21658077; eV
thumbnail.jpeg/C2H4_chlorination/4a initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----917.38393373; eV