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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/molecules propen_2_olRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--55.54238333; eV
thumbnail.jpeg22-Jun-2018/molecules 2_propenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--55.05967919; eV
thumbnail.jpeg22-Jun-2018/molecules acetolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--62.54915524; eV
thumbnail.jpeg22-Jun-2018/molecules H2Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--6.76671521; eV
thumbnail.jpeg22-Jun-2018/molecules hydroxyacetaldehydeRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--45.59093113; eV
thumbnail.jpeg22-Jun-2018/molecules hydroxypropanalRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--62.08690912; eV
thumbnail.jpeg22-Jun-2018/molecules 12_enolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--61.93683678; eV
thumbnail.jpeg22-Jun-2018/molecules propanalRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--55.77095647; eV
thumbnail.jpeg22-Jun-2018/molecules propyleneRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--48.75270504; eV
thumbnail.jpeg22-Jun-2018/molecules 1_Propenol_ZRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--55.38922557; eV
Results 81-90 of 1230 (Search time: 0.001 seconds).