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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/PG_1Propenol PGRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.66721190; eV
thumbnail.jpeg22-Jun-2018/PG_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/PG_2Propenol PGRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.66721190; eV
thumbnail.jpeg22-Jun-2018/Acetol_PG AcetolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.84526937; eV
thumbnail.jpeg22-Jun-2018/Acetol_PG PGHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1148.16831375; eV
thumbnail.jpeg22-Jun-2018/Acetol_PG PGRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.66721190; eV
thumbnail.jpeg22-Jun-2018/1Propanol_Propylene 1propanolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1141.23267328; eV
thumbnail.jpeg22-Jun-2018/1Propanol_Propylene PropyleneRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1140.39913638; eV
thumbnail.jpeg22-Jun-2018/1Propanol_Propylene 1propanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1140.91712331; eV
thumbnail.jpeg22-Jun-2018/13Proanediol_2Propenol 13propanediolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1147.78682405; eV
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