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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2020/workfunctions IrPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--306.57293864; eV
thumbnail.jpeg6-Aug-2020/workfunctions RuPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--317.13310038; eV
thumbnail.jpeg6-Aug-2020/workfunctions AgPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--93.93764008; eV
thumbnail.jpeg6-Aug-2020/workfunctions RhPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--250.32032068; eV
thumbnail.jpeg6-Aug-2020/workfunctions NiPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--188.27101909; eV
thumbnail.jpeg6-Aug-2020/workfunctions PtPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--212.38741255; eV
thumbnail.jpeg6-Aug-2020/workfunctions CuPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--128.53168517; eV
thumbnail.jpeg6-Aug-2020/freq/gasses I2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--0.04732838; eV
thumbnail.jpeg6-Aug-2020/workfunctions CoPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--245.79680124; eV
thumbnail.jpeg6-Aug-2020/freq/gasses CH3IPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--21.32902711; eV
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