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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 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 Model5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--242.10215502; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--235.26635111; eV
thumbnail.jpeg27-Aug-2021/Model_System/Models Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--228.93777941; 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/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/Bader CO-Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexSingle pointDFT--220.87120021; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--206.83917784; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Mode3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--241.78759521; eV
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