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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/opt/intermediates/Ni/F fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--192.96711644; eV
Login required6-Aug-2020/freq/intermediates/Pt/I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--203.06385333; eV
Login required6-Aug-2020/freq/intermediates/Rh/CF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--240.02159835; eV
Login required6-Aug-2020/freq/intermediates/Ni/F hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--188.77847043; eV
Login required6-Aug-2020/freq/gasses CH3ClPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--22.43646551; eV
Login required6-Aug-2020/workfunctions CoPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--245.79680124; eV
Login required6-Aug-2020/opt/intermediates/Co/CH2Cl2 lesserPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--267.02330398; eV
Login required6-Aug-2020/opt/intermediates/Ni/CH3F fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--212.31676669; eV
Login required6-Aug-2020/opt/intermediates/Ir/CCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--318.44326554; eV
Login required6-Aug-2020/opt/intermediates/Ru/CH3F fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.17354773; eV
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