A MODELLING SYSTEM FOR ELECTRONIC STRUCTURES OF MOLECULES
分子电子结构的造型系统

A practical electronic structural modelling system is presented. This system can be used to study the distribution of intermolecular microscopic properties, such as electron densities and intermolecular potentials. It includes calculation and representation of molecular properties. Display of map is represented as isometric 3D mesh surface and fuzzy cloud dot map. This system has been used to study the anti-tumor drug, and some results are obtained.