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The chemisorption of H 2 and H 2 S molecules on the (100) surface of RuS 2 is studied with a periodic Hartree-Fock approach completed by density functional correlation energy corrections. The stable (100) surface is modeled by a slab for which both molecular and dissociative chemisorptions are considered. For H 2 , as well as for H 2 S, the best optimized situations...
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