In order to explore the interaction mechanism between 2,2-Bis (ethylferrocenyl) propane (GFP) and ammonium perchlorate (AP) at low temperature (below 250 degrees C), all the possible intermolecular interactions between GFP and AP were calculated. The calculations were performed in single molecule, cluster and slab models. The calculation results show that the interactions between GFP and AP at low temperature mainly come from GFP-H+ and GFP-NH4 pair interactions. We speculate that the interaction mechanism between GFP and AP at low temperature is that GFP/H+ or GFP/NH4 interactions cause GFP to be protonated, and then protonated GFP is to further oxidized. (C) 2016 Elsevier B.V. All rights reserved.