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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Feb-2022/UiO66-Ce_(I_and_J) I-1Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1678.94702503; eV
thumbnail.jpeg23-Feb-2022/UiO66-Ce_(I_and_J) J-1Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1675.02595016; eV
thumbnail.jpeg23-Feb-2022/UiO66-Ce_(I_and_J) J-TS2-3Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1787.83237895; eV
thumbnail.jpeg23-Feb-2022/UiO66-Ce_(I_and_J) J-TS6-7Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1731.02003246; eV
thumbnail.jpeg23-Feb-2022/UiO66-Ce_(I_and_J) J-7Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1700.18570357; eV
thumbnail.jpeg23-Feb-2022/UiO66_(A) A-2Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1795.68068643; eV
thumbnail.jpeg23-Feb-2022/UiO66_(A) A-1Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1682.55730265; eV
thumbnail.jpeg23-Feb-2022/UiO66_(A) A-TS6-7Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1738.31005876; eV
thumbnail.jpeg23-Feb-2022/UiO66_(A) A-TS5-6Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1738.40556339; eV
thumbnail.jpeg23-Feb-2022/UiO66_(A) A-TS6-8Rellán-Piñeiro, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-onlyFrequenciesDFT--1738.11609021; eV
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