Journal of Chemical Physics, Vol.102, No.14, 5761-5769, 1995
Optimized Atomic Lennard-Jones 6-12 Parameters for Simulating PVT Properties of a Realistic Polymethylene Melt
Keywords:BIAS MONTE-CARLO;MOLECULAR-DYNAMICS;CONFIGURATIONAL STATISTICS;BROWNIAN DYNAMICS;NORMAL-ALKANES;CHAIN;POLYETHYLENE;CONSTRAINTS;POLYMERS;MODEL