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Browsing by Author Vidal López, Anna

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Showing results 41 to 60 of 75 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--220.88097201; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--241.78759521; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--248.31634809; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--255.09794326; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW Cu111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--44.51171969; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW Cu2O111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--240.31266288; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW H+Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--198.04360409; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW H+Model1bVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--200.62667116; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW H+Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--239.15985679; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/PBE0 CO_moleculeVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--19.25887560; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/PBE0 Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--414.64257032; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models 2D-Mo2CVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--193.42975346; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models CuVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--2.56470513; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Cu111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--31.91330968; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Cu2OVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--11.97861676; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Cu2O111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--226.72304506; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Cu4-2D-Mo2CVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--196.73853835; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models CuOVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--10.37957021; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--194.08785209; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--207.96008877; eV
Showing results 41 to 60 of 75 < previous   next >