1. Institute of Chemical Research of Catalonia

Browsing by Author Garcia, Sergio Pablo

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Showing results 41 to 60 of 800 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/bulk/Br_01 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--202.45724211; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/bulk/Br_02 Br_02Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.77629236; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/bulk/Br_02 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--205.41602083; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_Br/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.49977710; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--233.09624296; 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/Rh/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--236.59143584; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--266.75812396; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_CH/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--243.35469707; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/Add_CH/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--270.29767206; 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/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/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/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
thumbnail.jpeg7-Feb-2020/Multi_Br/Rh/bulk/Br_02 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--233.24698901; 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/Ru/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--302.54603030; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ru/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--329.09480399; 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
Showing results 41 to 60 of 800 < previous   next >