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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/molecules 2_propanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--63.72471275; eV
thumbnail.jpeg22-Jun-2018/molecules acroleinRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--47.32267214; eV
thumbnail.jpeg22-Jun-2018/molecules propylene_glycolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--70.18202156; 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 propanoneRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--56.07257425; 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 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 13_Enol_ERellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--61.93315424; eV
thumbnail.jpeg22-Jun-2018/molecules 1_Propenol_ERellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--55.41916993; eV
Results 11-20 of 26 (Search time: 0.001 seconds).