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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/freq/intermediates/Ni/CH2F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--204.16105362; eV
Login required6-Aug-2020/freq/intermediates/Ru/CCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--306.23922868; eV
Login required6-Aug-2020/freq/intermediates/Ni/CF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--197.65658079; eV
Login required6-Aug-2020/freq/gasses Cl2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--3.57508520; eV
Login required6-Aug-2020/opt/intermediates/Co/CH2I2 lesserPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.99395530; eV
Login required6-Aug-2020/opt/intermediates/Ru/CH3I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--339.43804806; eV
Login required6-Aug-2020/opt/intermediates/Ir/CCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--318.54611438; eV
Login required6-Aug-2020/opt/intermediates/Pt/CI hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--223.13247714; eV
Login required6-Aug-2020/opt/intermediates/Rh/CF topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.19171671; eV
Login required6-Aug-2020/freq/intermediates/Ag/Cl topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--102.88941694; eV
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