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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/RWGS 12Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--253.84004894; eV
thumbnail.jpeg27-Aug-2021/CO2 10Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--242.09870640; eV
thumbnail.jpeg27-Aug-2021/CO2 1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--261.20756977; eV
thumbnail.jpeg27-Aug-2021/CO2 TS5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.06309969; eV
thumbnail.jpeg27-Aug-2021/CO2 TS6Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.13620324; eV
thumbnail.jpeg27-Aug-2021/CO2 7Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--271.05688163; eV
thumbnail.jpeg27-Aug-2021/CO2 5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.50808277; eV
thumbnail.jpeg27-Aug-2021/CO2 6Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--269.44274924; eV
thumbnail.jpeg27-Aug-2021/CO2 8Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--270.98315417; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--241.77838830; eV
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