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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Apr-2020/H_coverage/MEMI_Znse/Added_electron Site_2Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--324.76882716; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Added_electron Site_4Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--324.34511246; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Added_electron Site_1Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--324.38525878; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Added_electron Site_5Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--325.20744933; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Added_electron Site_0Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--324.84289721; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Neutral Site_4Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--325.17088235; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Neutral Site_5Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--325.08186446; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Neutral Site_8Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--325.04801952; eV
Login required17-Apr-2020/H_coverage/MEMI_Znse/Neutral Site_3Mates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complexGeometry optimizationDFT--325.30886051; eV
thumbnail.jpeg24-Apr-2019G32_P109_charge1_mult3Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1872.10134562; Eh
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