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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Jul-2017Keggin-TS_epim(no-O3H)Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---538.34522901; eV
thumbnail.jpeg10-Jul-2017Dawson-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyImproved Dimer Method---773.15241280; eV
thumbnail.jpeg10-Jul-2017Keggin-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyImproved Dimer Method---545.59036880; eV
thumbnail.jpeg10-Jul-2017Dawsson-TS_epimRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---772.41761892; eV
thumbnail.jpeg10-Jul-2017Dawson-M_dissRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---773.56549338; eV
thumbnail.jpeg10-Jul-2017Dawson-G_dissRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---773.52467024; eV
thumbnail.jpeg10-Jul-2017Keggin-TS_epimRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimization---545.05219460; eV
thumbnail.jpeg10-Jul-2017MoO3_vac-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1215.03722240; eV
thumbnail.jpeg10-Jul-2017MoO3_vac-TS_epimRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1214.69932845; eV
thumbnail.jpeg10-Jul-2017MoO3_vac-TS_dissRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1215.17307164; eV
Results 1-10 of 63 (Search time: 0.001 seconds).