1. Institute of Chemical Research of Catalonia

Browsing by Author Garcia, Sergio Pablo

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Showing results 21 to 40 of 800 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--195.14036311; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--190.97757206; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.01230726; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--195.26958814; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--204.52369469; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_1 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--200.73759191; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--207.52055157; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/Add_CH/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--203.77066766; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/bulk/Br_01 Br_01Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--191.82585280; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/bulk/Br_01 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--187.89084164; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/bulk/Br_02 Br_02Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--195.37101098; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Ni/bulk/Br_02 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--191.58986645; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_Br/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.01048040; 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/Add_Br/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--220.62810771; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_Br/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--208.60327232; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_CH/Br_1 Br_1Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--228.14503547; 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/Pt/Add_CH/Br_2 Br_2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--230.80176930; eV
thumbnail.jpeg7-Feb-2020/Multi_Br/Pt/Add_CH/Br_2 freqGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--219.52952051; eV
Showing results 21 to 40 of 800 < previous   next >