基于第一原理力场预测热力学参数的探讨

孙淮, 武传杰, 李晓锋, 戴建兴

Predictions of thermodynamics parameters based on first-principle force field methods

SUN Huai, WU Chuanjie, LI Xiaofeng, DAI Jianxing

化工学报 . 2006, (5): 1055 -1063 .