The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.
本文介绍了子构型、聚集态及
子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学
子的量子化学计算方法的研究进展。