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Ximena Zarate, Eduardo Schott, Leonor Alvarado-Soto and Todd C. Sutherland A molecular study of tetrakis(p-methoxyphenyl)porphyrin and its Zn(II) complex as discotic liquid crystals International Journal of Quantum Chemistry 113

Version of Record online: 9 APR 2013 | DOI: 10.1002/qua.24450

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Two macrocyclic molecules, tetrakis-(p-methoxyphenyl)porphyrin and its Zn-containing complex, represent model structures for the study of the charge-transfer processes in noncovalent π-stacking systems. Density functional theory calculations, incorporating dispersion corrections, suggest that the effect of the metallic center over the electron transfer property is nearly negligible in these systems.

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