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Showing results 6818 to 6837 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_optGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--388.83248025; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-icorelvl0Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--388.83248172; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o29Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--527.58145732; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--524.65509763; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--527.58189450; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--524.78605185; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--524.78417862; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-geo_opt-xps-o34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--524.65983953; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_adsGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--394.46393675; eV
thumbnail.jpeg12-Mar-2022c100_surf-peroxo-cov_050_diag-pt_adsGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--394.46393675; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-icorelvl0Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--394.47696352; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o29Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.96221811; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o30Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--532.04780510; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o31Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--533.00005295; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o32Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--533.02881278; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o33Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--530.36799385; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_diag-pt_ads-xps-o34Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--530.45242776; eV
thumbnail.jpeg12-Mar-2022c100_surf-peroxo-cov_050_row-geo_optGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--388.65957473; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_row-geo_optGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--388.65957473; eV
thumbnail.jpeg3-Mar-2022c100_surf-peroxo-cov_050_row-geo_opt-xps-icorelvl0Geiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--388.65957495; eV