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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Feb-2020CHOH_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--156.61504082; eV
thumbnail.jpeg10-Feb-2020CH_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--147.97693304; eV
thumbnail.jpeg10-Feb-2020CH2_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--153.20037554; eV
thumbnail.jpeg10-Feb-2020CH3_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--157.97318203; eV
thumbnail.jpeg10-Feb-2020CH4_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--162.73683684; eV
thumbnail.jpeg10-Feb-2020COOH_on_Pb111-OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--164.95330119; eV
thumbnail.jpeg10-Feb-2020CHOH_on_Pb111-OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--160.67587066; eV
thumbnail.jpeg10-Feb-2020CHO_on_Pb111-OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--160.99833369; eV
thumbnail.jpeg10-Feb-2020CO_on_Pb111-OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--154.08239586; eV
thumbnail.jpeg10-Feb-2020CH2_on_Pb111-OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--155.25108797; eV
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