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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/opt/intermediates/Ni/CHF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--204.70321505; eV
Login required6-Aug-2020/opt/intermediates/Ru/CF topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--329.49382608; eV
Login required6-Aug-2020/opt/intermediates/Ir/I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--309.21873610; eV
Login required6-Aug-2020/freq/intermediates/Ir/CCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--295.11604518; eV
Login required6-Aug-2020/freq/intermediates/Cu/F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--138.22097600; eV
Login required6-Aug-2020/opt/gasses Cl2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3.57507053; eV
Login required6-Aug-2020/workfunctions NiPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--188.27101909; eV
Login required6-Aug-2020/freq/gasses CH2I2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--18.53863968; eV
Login required6-Aug-2020/opt/intermediates/Ru/CHCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--332.45191278; eV
Login required6-Aug-2020/opt/intermediates/Ru/CCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--328.95799949; eV
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