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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-2018/HP_13Propanediol TS_13propanediol_13propanediolHRellán, Marcosvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE+U--1147.13558883; eV
thumbnail.jpeg22-Jun-2018/Acrolein_2Propenol 2propenolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1132.64342758; eV
thumbnail.jpeg22-Jun-2018/2Propanol_Propylene 2propanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1141.22328607; eV
thumbnail.jpeg22-Jun-2018/PG_Propen_2_ol TS_PGa_P2olRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1146.32595526; eV
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-2018/1Propanol_Propylene PropyleneRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1140.39913638; eV
thumbnail.jpeg22-Jun-2018/12Enol_Acetol 12enolHRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1139.66013231; eV
thumbnail.jpeg22-Jun-2018/PG_2Propenol TS_PGHb_PGbRellán, Marcosvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE+U--1147.33103985; eV
thumbnail.jpeg22-Jun-2018/Propanal_1Propanol PropanalRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimizationPBE+U--1141.05457307; eV
thumbnail.jpeg22-Jun-2018/HP_Acrolein TS_HPH_HPRellán, Marcosvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE+U--1139.15066369; eV
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