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分子结构与性能的关系,是化学中一个带有根本性的基础理论问题。这不但是药物、农药、染料、炸药、照相材料等工业的基础,也是高分子及其他材料科学的基础。近年来由于量子化学方法的发展,和光谱、质谱、核磁等技术的广泛应用,这方面有突飞猛进的发展,结构性能关系已作为现代化学的五大分支即合成、分析、结构性能、反应与量子化学之一而出现。整个化学学科也正因此而日益改变面貌,正在由一种基本上是描述性的定性科学,发展成为一种比较系统的定量
The relationship between molecular structure and performance is a basic fundamental theoretical issue in chemistry. This is not only the basis of industries such as medicine, pesticides, dyes, explosives, photographic materials, but also the science of polymers and other materials. In recent years, due to the development of quantum chemistry, and the wide application of spectroscopy, mass spectrometry, nuclear magnetic technology, there has been rapid development in this area. The relationship between structural properties has been regarded as the five branches of modern chemistry, namely synthesis, analysis, structural performance, reaction and quantum chemistry One of them appears. As a result, the whole chemistry discipline is changing day by day, and it is being developed from a basically descriptive qualitative science into a more systematic quantitative