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- W2068203450 abstract "Ab initio molecular orbital theory was used to examine the physisorption of a hydrogen molecule on planar and curved graphene clusters. The repulsive nature of a H2−H2 interaction and the small dependence of physisorption energies on physisorption sites favor a close-packed structure for molecular hydrogen physisorption on a planar graphene. It was also found that the physisorption energies are significantly increased on curved graphenes." @default.
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- W2068203450 date "2001-04-04" @default.
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- W2068203450 title "Ab Initio Investigation of Physisorption of Molecular Hydrogen on Planar and Curved Graphenes" @default.
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- W2068203450 doi "https://doi.org/10.1021/jp003435h" @default.
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