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.

本介绍了碳菁分子型、聚集态及碳菁分子性质的结效应的量子化理论与实验研究情况,综述了国内对碳菁分子的量子化计算方法的研究进展。