Density functional study the interaction of oxygen molecule with defect sites of graphene

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B. Delley · The Journal of Chemical Physics · 2000 · 10.7K citations · Full text

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Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes

Jannik C. Meyer, C. Kisielowski, Rolf Erni et al. · Nano Letters · 2008 · 1.2K citations

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Elizabeth Duplock, Matthias Scheffler, Philip J. D. Lindan · Physical Review Letters · 2004 · 537 citations

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Comparative Study of Benzene···X (X = O₂, N₂, CO) Complexes Using Density Functional Theory:  The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients

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Materials Science, Engineering, Physics +14

Ab initio molecular orbital calculation on graphite: Selection of molecular system and model chemistry

Ning L. Chen, Ralph T. Yang · Carbon · 1998 · 204 citations

Materials Science, Graphene Nanomeshes, Engineering +10