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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/Propanone_2Propanol TS_Propanone_2propanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer MethodPBE+U--1139.95583936; eV
thumbnail.jpeg22-Jun-2018/PG_2Propenol TS_PGb_2PropenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer MethodPBE+U--1146.03510668; eV
thumbnail.jpeg22-Jun-2018/HP_13Propanediol TS_HP2OH_13propanediolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer MethodPBE+U--1146.08632989; eV
thumbnail.jpeg22-Jun-2018/PG_1Propenol TS_PGb_1PropenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer MethodPBE+U--1146.16769099; eV
thumbnail.jpeg22-Jun-2018/13Proanediol_2Propenol TS_13Propanediol_2PropenolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer MethodPBE+U--1145.86308368; eV
thumbnail.jpeg22-Jun-2018/Acetol_PG TS_Acet2OH_PGRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer MethodPBE+U--1146.28320506; eV
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