1. Barcelona Supercomputing Center

Browsing by Author Guan, Xiaoxi

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Showing results 1 to 11 of 11
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Nov-20231VOinalpha-MoO3Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Jan 12 2019 23:03:14) complexGeometry optimizationDFT--1910.37741074; eV
thumbnail.jpeg11-Nov-20231VOinO_-MoO3Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:21:07) complexGeometry optimizationDFT--1908.78225870; eV
thumbnail.jpeg11-Nov-20231VOinO_-MoO3_2Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:21:07) complexGeometry optimizationDFT--1908.25985812; eV
thumbnail.jpeg11-Nov-20232VOinO_-MoO3Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:21:07) complexGeometry optimizationDFT--1902.25498725; eV
thumbnail.jpeg11-Nov-2023alpha-MoO2_94Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Jan 12 2019 23:03:14) complexGeometry optimizationDFT--1888.64977275; eV
thumbnail.jpeg11-Nov-2023alpha-MoO2_95Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Jan 12 2019 23:03:14) complexGeometry optimizationDFT--1895.90812949; eV
thumbnail.jpeg11-Nov-2023alpha-MoO3Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Jan 12 2019 23:03:14) complexGeometry optimizationDFT--1917.66983591; eV
thumbnail.jpeg11-Nov-2023O_-MoO2_94Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:21:07) complexGeometry optimizationDFT--1889.12556086; eV
thumbnail.jpeg11-Nov-2023O_-MoO2_94_2Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:22:21) gamma-onlyGeometry optimizationDFT--1891.09279677; eV
thumbnail.jpeg11-Nov-2023O_-MoO2_95Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Apr 25 2018 13:21:07) complexGeometry optimizationDFT--1895.74025814; eV
thumbnail.jpeg11-Nov-2023O_-MoO3Guan, Xiaoxivasp; 5.4.1; 24Jun15 (build Jan 12 2019 23:03:14) complexGeometry optimizationDFT--1914.19583387; eV
Showing results 1 to 11 of 11