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Browsing by Author Brennan, Kevin

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Showing results 21 to 40 of 329 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021/Adsorption/O bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.20409843; eV
thumbnail.jpeg25-Feb-2021/Adsorption/O fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.20410939; eV
thumbnail.jpeg25-Feb-2021/Adsorption/O hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.10746719; eV
thumbnail.jpeg25-Feb-2021/Adsorption/O topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--56.36537133; eV
thumbnail.jpeg25-Feb-2021/Adsorption/OH bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--62.17449627; eV
thumbnail.jpeg25-Feb-2021/Adsorption/OH fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--62.17438558; eV
thumbnail.jpeg25-Feb-2021/Adsorption/OH hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--62.06189039; eV
thumbnail.jpeg25-Feb-2021/Adsorption/OH topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--62.04219149; eV
Login required20-Feb-2024bulkBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complexGeometry optimizationDFT--11.29126336; eV
Login required20-Feb-2024bulkBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:11:09) complexGeometry optimizationDFT--396.06614683; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations Opt_StructureBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.04560197; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 11x11x11Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.03835426; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 13x13x13Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.03721575; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 15x15x15Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.03764653; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 3x3x3Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.21619876; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 5x5x5Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.07762890; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 7x7x7Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.02878455; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/K_Point_Optimisation 9x9x9Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--14.04704856; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/Lattice_Optimisation 0_9Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--9.99958991; eV
thumbnail.jpeg25-Feb-2021/Bulk_Calculations/Lattice_Optimisation 0_95Brennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--13.11280345; eV
Showing results 21 to 40 of 329 < previous   next >