理论化学与下世纪“化学学科重组”前瞻

本文展望了理论化学的发展趋势并预言了下个世纪“化学学科的重组”。作者建议了现代化学的定义：化学是研究从原子，分子片，分子，超分子，生物大分子到分子的各种不同尺度和不同程度的聚集态的合成和反应，分离和分析，结构和形态，物理性能和生物活性及其规律和应用的科学． 根据这个定义，从化学的研究对象不同，在２１ 世纪化学分支学科可能发生重组，因此化学可以划分为如下八个层次：１） 原子层次的化学； ２） 分子片层次的化学； ３） 分子层次的化学； ４） 超分子层次的化学； ５）生物与分子层次的化学； ６） 宏观聚集态化学； ７） 介观聚集态化学和８） 复杂分子体系的化学

The Prospect of Theoretical Chemistry and the "Recombination of Chemical Disciplines" in the Next Century

The developmental tendency of theoretical chemistry is prospected and the “recombination of chemical disciplines” in the next century was predicted. About the definition of modern chemistry, the author suggests that the chemistry is the sciences researching the synthesis and reaction, the separation and analysis, the structure and conformation, the physical property and biological activity, as well as their regularities and applications of the species from atoms, molecular fragments, supermolecules, biological macromolecules to the molecular states of aggregation of different size and to different extent of complication.According to this definition of chemistry and the difference of the object in research, in 21th century the branch disciplines of chemistry might be recombined, therefore the chemistry can be divided into the following eight levels: 1. The chemistry at the atomic level; 2. the chemistry at the molecular fragment level; 3. the chemistry at the molecular level; 4. the chemistry at the supermolecular level; 5. the chemistry at the biomolecular level; 6. the chemistry of the macroscopic states of aggregation; 7. the chemistry of mesoscopic states of aggregation and 8. the chemistry of complicated molecular systems. (the speech at the 7th National Congress on Quantum Chemistry. Edited by Liu Chun Wan and Yang Zhao Liang, reprinted from “Scientific News”, 1999,No.37)