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From molecular to crystal structure; polynuclear aromatic hydrocarbons

Abstract

Crystal structures of fused-ring aromatic hydrocarbons may be predicted from molecular structures using a model where carbon and hydrogen atoms in a molecule are designated ‘stack’ and ‘glide’ promoting solely on the basis of their topological connectivity.

Crystallography and molecular interactionsSynthesis and Properties of Aromatic CompoundsAnalytical Chemistry and ChromatographyChemistryStack (abstract data type)MoleculeRing (chemistry)AromaticityCrystal structureCrystal (programming language)Carbon fibersHydrogen bondHydrogen
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From molecular to crystal structure; polynuclear aromatic hydrocarbons · Scinovex