摘要
建立了用MonteCarlo方法模拟计算vanderWaals分子体积和表面积的算法.在一定的置信度条件下，可获得在指定置信限内的期望值.与Bodor算法比较，此算法有更优的精度.
The Monte Carlo simulation technique was developed to calculate the volume and surface area of molecules. In the fixed confidence degree, expected values within the specified confidence limit could be obtained. The result of this method was better than that of the Bodor algorithm method.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1997年第12期1097-1100,共4页
Acta Physico-Chimica Sinica
基金
国家教委博士点基金
