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A nanoporous carbon framework structure is predicted by combining graph theoretical approaches and density functional calculations. Bond lengths in this polymorph, with all atoms sp 2 -hybridised, are in good agreement with typical C-C and C C bond lengths, bond angles are close to 120 o , and it is 0.36 eV/atom less stable than diamond. The electronic structure suggests it is a quasi-one-dimensional...
Cycle sequences are presented as topological invariants of zeolites. The sequences are calculated for 374 topologically inequivalent atoms in 105 zeolite frameworks. All sequences are found to be different. The first nonzero terms of the sequence indicate the length of the smallest rings, which occur in the given framework and show which of the atoms belong to these rings.
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