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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2017Pt-S2W-H2O_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---327.00096514; eV
thumbnail.jpeg10-May-2017Ru-CS-H2COH_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---450.07473891; eV
thumbnail.jpeg10-May-2017Pd-S2W-TS-H3COH-H2COH_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---301.92647661; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H2CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---740.76504943; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---640.79248359; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H3COH_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---741.16304393; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H2O_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---727.94395543; eV
thumbnail.jpeg10-May-2017H3COH-trimer_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---91.85703961; eV
thumbnail.jpeg10-May-2017Ru-S2W-H2O_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---469.31608941; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H2O_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---725.02546016; eV
Results 1-10 of 147 (Search time: 0.002 seconds).