10.6084/m9.figshare.6744227.v1 Wanqi Gong Wanqi Gong Lihua Kang Lihua Kang Cartesian coordinates from BNPd single-atom catalysts for selective hydrogenation of acetylene to ethylene: a density functional theory study The Royal Society 2018 density functional theory selective hydrogenation B11N12Pd single-atom catalyst ethylene 2018-07-05 16:46:18 Journal contribution https://rs.figshare.com/articles/journal_contribution/Cartesian_coordinates_from_BNPd_single-atom_catalysts_for_selective_hydrogenation_of_acetylene_to_ethylene_a_density_functional_theory_study/6744227 The reaction process and potential energy change of catalytic hydrogenation of acetylene to ethylene