A1 publication Journal title Journal of Chemical Theory and Computation Publication date November 2012 Volume, issue & page range or art. n 4, (6), 1012-1020. Year 2008 Authors Moors S. L.; Michielssens S.; Flors C.; Dedecker P.; Hofkens J.; Ceulemans A. DOI http://dx.doi.org/10.1021/ct8000359