Journal of Chemical Physics, Vol.101, No.11, 10064-10073, 1994
Molecular-Dynamics Simulation of Crystalline Poly(Ethylene Oxide)
Keywords:ELECTRONIC-STRUCTURE CALCULATIONS;FORCE-FIELD;CONSTANT-PRESSURE;1;2-DIMETHOXYETHANE;POLY(OXYETHYLENE);POLYETHYLENE;ALGORITHM;SYSTEMS;MODEL