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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2017Pt-2-10García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---332.23367278; eV
thumbnail.jpeg8-May-2017Pt-6-10García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---315.77108591; 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_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/surfaces In2O3(111)_Ovac1Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1087.24742402; 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/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_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_Ovac_InH-OHCapdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---1095.66768709; eV
Results 301-310 of 98949 (Search time: 0.004 seconds).