From DFT Cluster Calculations to Molecular Dynamics Simulation of N2 Formation on a Silica Model Surface. - Mario Cacciatore; Andrea Pieretti; Maria Rutigliano; Nico Sanna (ICCSA (2), 2004)

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions. - Alexander Kurnosov; Mario Cacciatore; Antonio Laganà; Fernando Pirani; Massimiliano Bartolomei; Ernesto Garcia (J. Comput. Chem., 2014)