Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous

K. Theisen, B. Smit, and M. Haranczyk, Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials J. Chem Inf. Model. 50 (4), 461 (2010) http://dx.doi.org/10.1021/ci900451v

ci-2009-00451v_0001

Abstract: 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.


© Berend Smit 2019