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Browsing by Author Yin, Jun

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Showing results 1 to 20 of 100  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 0_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--317.27906834; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 1_CO2Yin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--336.63415698; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 2_COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--329.28205044; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 3_CHOYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--332.06634052; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 3_COHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--332.18039497; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 4_CO+COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--344.85007546; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 4_COCO_from_COCOKYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--343.90487079; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 4_COCOHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 30 2019 15:39:58) complexSingle pointDFT--347.75606912; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 5_H2OYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--328.08354215; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0 5_OH-HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.99072586; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 0_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--316.85629332; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 1_CO2Yin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--336.20997865; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 2_COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--328.86344050; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 3_CHOYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--331.72902503; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 3_COHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--331.72902503; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 4_CO+COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--344.44941801; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 4_COCO_from_COCOKYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--343.50126322; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 4_COCOHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--347.35292742; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 5_H2OYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.66046456; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain0_5 5_OH-HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.58577958; eV
Showing results 1 to 20 of 100  next >