Browsing by Author Brennan, Kevin

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required25-Feb-2021/Adsorption/CN/C bridgeBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.80587257; eV
Login required25-Feb-2021/Adsorption/CN/C fccBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.80577100; eV
Login required25-Feb-2021/Adsorption/CN/C hcpBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.78231002; eV
Login required25-Feb-2021/Adsorption/CN/C topBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.31275116; eV
Login required25-Feb-2021/Adsorption/CN/C/CN- bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.09127048; eV
Login required25-Feb-2021/Adsorption/CN/C/CN- fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.09021784; eV
Login required25-Feb-2021/Adsorption/CN/C/CN- hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--70.07654638; eV
Login required25-Feb-2021/Adsorption/CN/C/CN- topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--69.84512759; eV
Login required25-Feb-2021/Adsorption/CN/N bridgeBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.11747478; eV
Login required25-Feb-2021/Adsorption/CN/N fccBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.11787322; eV
Login required25-Feb-2021/Adsorption/CN/N hcpBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--68.05082518; eV
Login required25-Feb-2021/Adsorption/CN/N topBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--67.69339238; eV
Login required25-Feb-2021/Adsorption/H bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--55.10831346; eV
Login required25-Feb-2021/Adsorption/H fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--55.10828097; eV
Login required25-Feb-2021/Adsorption/H hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--55.08757419; eV
Login required25-Feb-2021/Adsorption/H topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--54.54631751; eV
Login required25-Feb-2021/Adsorption/O bridgeBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.20409843; eV
Login required25-Feb-2021/Adsorption/O fccBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.20410939; eV
Login required25-Feb-2021/Adsorption/O hcpBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--58.10746719; eV
Login required25-Feb-2021/Adsorption/O topBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexGeometry optimizationDFT--56.36537133; eV