针对世纪之交的化学积累了巨量的实验信息，但对它的分析处理总结规律的工作显得相对单薄的情况，本项目将对21世纪化学的发展和机遇作战略性的探讨，具体开展原子价的新定义、量子化学计算、分了片化学的研究，提出“分子树”概念，建议用NB四个数来表征分子的结构类型，探讨分子片和分子周期律，为预测新分子和进行分子设计提供理论基础..

This project of research consists of four parts ,namely:.(1).Some considerations about the frontiers of chemistry .The chemistry of the 20th century made magnificent achievements by synthesizing or recognizing more than 30 millions of organic and inorganic substances as well as biosequences. We forecast the 21st century is chemistry's golden age and propose that there are four difficult problems of chemistry to be solved: (a) Theory and practice of synthetic chemistry; (b) Quantitative correlations between structure and properties, which is the basis for designed syntheses of new materials with almost magical properties;(c)Chemical mechnism of the secrets of the life processes;(d) Theory and practice of nano-chemistry. I was invited to give a talk to express these viewpoints and suggestions in the National Congrss of the Chinese Chemical Society in 2002,and published a few papers in journals and newspaper. .(2) Study on the new concept of covalence and the periodical table of the molecules. In order to classify the tremendous number of molecules according to their structural types , we proposed a "NBsp" formalism, where N=no. of fragments it contains, B=no. of interfragment covalent bonds , s = no. of s bonds, p = no. of other types of covalent bonds. We also defined the valence of fragment as the number of vacancies in the valence orbitals of the central atom of the fragment. Using this formalism we have studied the chemical bonding of a series of tetra-nuclear Cu clusters and predict there are four double bonds,four single bonds,four half bonds between the 4 Cu atoms respectively ,which are in agreement with the experimentally determined bond lenths , but don't agree with the results of quantum chemical calculation using the familiar Gaussian 98 program. This problem will be further studied in this year..(3) Investigation on the present situation of consumption of rare earth resources in Baiyun Ebo,Baotou and made an urgent proposal to the Baotou Municipal Government to protect this precious resource..(4) Suggestions for reformation of high school chemistry curiculum.