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Showing results 105596 to 105615 of 107798 < 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_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.jpeg/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.jpeg/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.jpegC_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1352.92390868; Eh
thumbnail.jpegC_solventFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--1352.98288875; Eh
thumbnail.jpegcarbonate_ramanMelgar, DoloresADF; 2012; 01Single pointDFTTZP-
thumbnail.jpegCATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1329.07708434; Eh
thumbnail.jpegCAT-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1329.08737250; Eh