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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/H Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--239.15988899; 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
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 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/RWGS 17Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--248.93699492; eV
thumbnail.jpeg27-Aug-2021/RWGS 18Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--235.44832928; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--220.87120817; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Cu2O111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--240.31266293; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--206.83917673; eV
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