title: A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cationπ interactions in extended aromatic systems.
abstract: Non-local effects are crucial in order to give an accurate description of substituent effects in extended aromatic systems. As a consequence, the predictions based on the currently accepted through-space picture can lead to large errors in the strength of cationπ interactions, especially for rings furthest from the substituent.
authors.affiliation: Facultade de Ciencias (Dpto. de Química Física), Universidade de Santiago de Compostela, Campus de Lugo. Avda. Alfonso X El Sabio s/n 27002 Lugo, Galicia, Spain. caba.lago@usc.es.
authors.forename: Enrique M
authors.initials: EM
authors.lastname: Cabaleiro-Lago
authors.affiliation: Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS) and Departamento de Química Física, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain.
authors.forename: Jesús
authors.initials: J
authors.lastname: Rodríguez-Otero