本文介绍了自动解析无机化合物,水溶液中离子和分子化学式的程序系统ADF。它与检索程序系统配合使用,对某一体系,只需输入它的组成元素或基团,既可以自动挑出该体系中全部可能存在的物质并求出它们的原子系数矩阵,为ITDB和ATDB中各类计算及库的使用提供了方便。 This article describes an ADF program system that automatically resolves inorganic and molecular compounds in aqueous solution. It is used in conjunction with the search program system. For a system, simply enter its constituent elements or groups, either by automatically picking out all possible substances in the system and finding their matrix of atomic coefficients for the ITDB and ATDB The use of various types of calculations and libraries provides convenience.