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In general, most porous materials are so complex that structural information cannot be easily observed with 3D visualization tools. To address this problem, we have developed a special abstract 2D representation to depict all important topological features and geometrical parameters. Our approach involves reducing these structures based on symmetry and perceived building blocks to a compressed, graph representation that allows for quick structure analysis, classification, and comparison. © 2010 American Chemical Society.
Pascal Frossard, Mireille El Gheche, Isabela Cunha Maia Nobre
Pascal Frossard, Effrosyni Simou