1. Barcelona Supercomputing Center

Browsing by Author Yin, Jun

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Showing results 21 to 40 of 100 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 0_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--316.26214439; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 1_CO2Yin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--335.61270952; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 2_COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--328.27307763; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 3_CHOYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--331.14555847; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 3_COHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--331.18695584; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 4_CO+COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--343.86949882; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 4_COCO_from_COCOKYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--342.92757518; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 4_COCOHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--346.77814523; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 5_H2OYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.06728435; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_0 5_OH-HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.01085807; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 0_HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--315.51130635; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 1_CO2Yin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--334.85923691; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 2_COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--327.52633846; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 3_CHOYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--330.40522191; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 3_COHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--330.44407638; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 4_CO+COYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--343.13310990; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 4_COCO_from_COCOKYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--342.19602849; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 4_COCOHYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--346.04713884; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 5_H2OYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--326.31777009; eV
thumbnail.jpeg31-May-2022/Cu-CO2_100/Cu-CO2_100_strain1_5 5_OH-HYin, Junvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexSingle pointDFT--326.27621033; eV
Showing results 21 to 40 of 100 < previous   next >