Browsing by Author Garcia, Sergio Pablo

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2020/C_subsurface AgGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--99.38564749; eV
thumbnail.jpeg7-Feb-2020/C_subsurface CoGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.21362712; eV
thumbnail.jpeg7-Feb-2020/C_subsurface CuGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--134.51154996; 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/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 PtGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--220.37251203; eV
thumbnail.jpeg7-Feb-2020/C_subsurface RhGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.89584764; 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/Ir/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--288.45933664; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.74200682; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--291.42058055; 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/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/Ir/Add_CH/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.62922636; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/Add_CH/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--301.61436290; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/bulk/Br_01 Br_01Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--309.61092930; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/bulk/Br_01 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--285.45113118; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/bulk/Br_02 Br_02Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--312.57660773; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ir/bulk/Br_02 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--288.19290327; eV