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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/opt/intermediates/Rh/Cl topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--253.73528871; eV
Login required6-Aug-2020/freq/intermediates/Cu/CHF fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--150.03283295; eV
Login required6-Aug-2020/freq/intermediates/Ni/CCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--196.09523288; eV
Login required6-Aug-2020/opt/intermediates/Cu/I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--131.37807421; eV
Login required6-Aug-2020/freq/intermediates/Co/CF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--258.55615708; eV
Login required6-Aug-2020/freq/intermediates/Cu/I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--137.63889493; eV
Login required6-Aug-2020/freq/intermediates/Ru/I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--297.69669527; eV
Login required6-Aug-2020/freq/intermediates/Rh/I hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--229.52180677; eV
Login required6-Aug-2020/opt/intermediates/Rh/CH3I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--272.38675292; eV
Login required6-Aug-2020/freq/intermediates/Co/CH2Cl topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--264.19274275; eV
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