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Cover Image, Volume 113, Issue 20 International Journal of Quantum Chemistry 113

Version of Record online: 6 SEP 2013 | DOI: 10.1002/qua.24538

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Two macrocyclic molecules, tetrakis-(p-methoxyphenyl)porphyrin and its Zn-containing complex, are model structures for the study of the charge-transfer processes in noncovalent p-stacking systems, which is one of the most important properties in discotic liquid crystals (DLC). In this sense, density functional computations, including dispersion corrections, are used to study the electronic interactions on these aromatic cores by Ximena Zarate, Eduardo Schott, Leonor Alvarado-Soto, and Todd C. Sutherland on page 2287. The cover image shows a zoom of the packing of these molecules in DLC phases, which are modeled by their face-to-face dimeric conformations whose lowest unoccupied molecular orbitals (LUMO) overlap through the dimer, indicating the electron transfer character.

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