1. Barcelona Supercomputing Center

Browsing by Author Chen, Xingzhu

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Showing results 1 to 20 of 42  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2023Ag-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--218.48023116; eV
thumbnail.jpeg12-Jun-2023Ag-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--219.42604636; eV
Login required11-Jul-2023Au-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--257.93981582; eV
Login required12-Jul-2023Au-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--258.25172440; eV
Login required12-Jul-2023Bi001-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--262.64654413; eV
Login required12-Jul-2023Bi001-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--263.22809883; eV
Login required23-Jul-2023Bi012-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--340.99669478; eV
Login required23-Jul-2023Bi012-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--341.77050976; eV
Login required23-Jul-2023Bi110-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--230.14346998; eV
Login required23-Jul-2023Bi110-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--230.61648211; eV
Login required12-Jul-2023Bi2O3-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--494.11875259; eV
Login required12-Jul-2023Bi2O3-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--495.13903632; eV
Login required23-Jul-2023Cd101-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--103.56925674; eV
Login required23-Jul-2023Cd101-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--104.43542114; eV
Login required23-Jul-2023CdO111-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--446.90632540; eV
Login required23-Jul-2023CdO111-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--447.43600433; eV
Login required23-Jul-2023Cu100-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--262.90910183; eV
Login required23-Jul-2023Cu100-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--263.76114222; eV
Login required23-Jul-2023Cu111-COOHChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--265.42710749; eV
Login required23-Jul-2023Cu111-OCHOChen, Xingzhuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complexGeometry optimizationDFT--266.31624129; eV
Showing results 1 to 20 of 42  next >