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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/ts_freq/Ir R4Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--302.79264871; eV
thumbnail.jpeg/opt/Ir/CH3 fcc1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.53801153; eV
thumbnail.jpeg/opt/Ir/CH3 fcc2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.12269776; eV
thumbnail.jpeg/opt/Ir/CH3 hcp1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.04863192; eV
thumbnail.jpeg/opt/Ir/CH3 hcp2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.45306348; eV
thumbnail.jpeg/opt/Ir/CH3 top1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.85751407; eV
thumbnail.jpeg/opt/Ir/CH3 top2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.85460705; eV
thumbnail.jpeg/opt_freq/Ir/CH3 fcc1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--302.53895489; eV
thumbnail.jpeg/opt_freq/Ir/CH3 fcc2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--302.19794104; eV
thumbnail.jpeg/opt_freq/Ir/CH3 hcp1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--302.05337493; eV
thumbnail.jpeg/opt_freq/Ir/CH3 hcp2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--302.30684336; eV
thumbnail.jpeg/opt_freq/Ir/CH3 top1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--303.08002943; eV
thumbnail.jpeg/opt_freq/Ir/CH3 top2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--303.07199908; eV
thumbnail.jpeg/ts/Ir R4Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--326.47337526; eV
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