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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--334.26370343; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/bulk/Br_01 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--229.47265539; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/bulk/Br_02 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--302.53390913; eV
thumbnail.jpeg7-Feb-2020/C_subsurface RuGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.69478833; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_Br/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--312.64624359; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.81757374; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/Add_Br/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.07879726; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_CH/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--246.76832579; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_CH/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--299.06896192; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/bulk/Br_02 Br_02Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.43779607; eV
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