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.
文介绍碳菁分子构型、聚集态及碳菁分子性质结构效应量子化学理论与实验研究情况,综述外学者对碳菁分子量子化学计算方法研究进展。