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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/CO2 2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--262.56187274; 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 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 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 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 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/CO2 TS7Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.39418574; eV
thumbnail.jpeg27-Aug-2021/RWGS TS8Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--254.08512893; eV
thumbnail.jpeg27-Aug-2021/CO2 9Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.74325297; eV
thumbnail.jpeg27-Aug-2021/RWGS 11Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--254.07771660; eV
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