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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Jul-2017MoO3-TS_dissRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer Method---1220.74620377; eV
thumbnail.jpeg10-Jul-2017MoO3-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexImproved Dimer Method---1220.90999354; eV
thumbnail.jpeg10-Jul-2017Dawson-TS_dissRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyImproved Dimer Method---773.12346280; eV
thumbnail.jpeg10-Jul-2017Keggin-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyImproved Dimer Method---545.59036880; eV
thumbnail.jpeg10-Jul-2017Dawson-TS_assoRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyImproved Dimer Method---773.15241280; eV
thumbnail.jpeg10-Jul-2017Keggin-TS_dissRellán, Marcosvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyImproved Dimer Method---545.51706252; 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/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
Results 1-10 of 69 (Search time: 0.001 seconds).