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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/13Proanediol_2Propenol 2propenol_aRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.12812871; eV
thumbnail.jpeg22-Jun-2018/13Proanediol_2Propenol 13propanediolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.45050367; eV
thumbnail.jpeg22-Jun-2018/Acrolein_1Propenol 1propenolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1132.98322866; eV
thumbnail.jpeg22-Jun-2018/Acrolein_1Propenol 1propenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1132.82329330; eV
thumbnail.jpeg22-Jun-2018/HP_13Propanediol 13propanediolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.45050367; eV
thumbnail.jpeg22-Jun-2018/Acrolein_1Propenol AcroleinRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1132.32725131; eV
thumbnail.jpeg22-Jun-2018/HP_13Propanediol 13propanediolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.78682405; eV
thumbnail.jpeg22-Jun-2018/HP_13Propanediol HPRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.66429154; eV
thumbnail.jpeg22-Jun-2018/Gly_13Enol 13enol_aRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1153.96732633; eV
thumbnail.jpeg22-Jun-2018/Gly_13Enol GlyH_bRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1154.71454144; eV
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