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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 4_CO+COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--313.50086135; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 1_CO2Yin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--305.54681806; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0 5_OH_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--296.97946107; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 3_COHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--300.39579443; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 3_CHOYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--300.72130945; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 2_COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--297.84490689; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 0_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--286.08338107; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 4_COCO_from_COCOKYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--312.12747314; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 5_OH_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--296.65366059; eV
thumbnail.jpeg31-May-2022/Cu-CO2_111/Cu-CO2_111_strain0_5 4_COCOHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--315.79866448; eV
Results 961-970 of 1175 (Search time: 0.003 seconds).