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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019/F2F_20th-September-2019_ETH/Ureas TS1_1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-onlyImproved Dimer MethodDFT--2006.41948405; eV
thumbnail.jpeg1-Oct-2019/TS DimerGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--200.48581567; 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/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-2018/13Proanediol_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
thumbnail.jpeg23-Aug-2018/ni3p1_ni2p/ts_calculation ts_4_5_2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexImproved Dimer MethodDFT--675.21331732; eV
Login required18-Jun-2024/Transition_states/Pt/111 2112-2101+0011Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexImproved Dimer MethodDFT--308.82874959; eV
Login required18-Jun-2024/Transition_states/Pt/111 2222-2211+0011Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer MethodDFT--
Login required18-Jun-2024/Transition_states/Pt/111 2601-2501Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer MethodDFT--
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