Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations. - Zahra Tabookht; Xavier López; Coen de Graaf; Nathalie Guihéry; Nicolas Suaud; Nadia Benamor (J. Comput. Chem., 2012)