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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2020/C_subsurface NiGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--197.11791391; eV
thumbnail.jpeg7-Feb-2020/C_subsurface IrGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--313.72279513; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--322.76512258; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/bulk/Br_01 Br_01Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--253.88680135; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/bulk/Br_02 Br_02Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.07917310; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/bulk/Br_01 Br_01Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--215.10632728; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_CH/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--216.86848087; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--306.88821762; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--205.75885980; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/bulk/Br_01 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--202.45724211; eV
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