화학공학소재연구정보센터
Journal of Chemical Physics, Vol.100, No.6, 4531-4536, 1994
Test of a Simple-Model of the Intermolecular Potential for the Condensed Phases of C-70
We test a simple atom-atom model of the intermolecular potential for the condensed phases of C-70. The model, previously developed for the crystalline phases of C-60, consists of 12 Lennard-Jones interactions sites. Here we transfer it to C-70 crystals without further refinement of its potential parameters, and good agreement with experimental data on the low temperature crystal structure is obtained.