| 碳菁分子构效关系及其量子化学理论计算 |
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| 引用本文： | 雷永林,霍冀川,段小惠,叶旭,孙成才.碳菁分子构效关系及其量子化学理论计算[J].化学进展,2007,19(6):878-883. |
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| 作者姓名： | 雷永林 霍冀川 段小惠 叶旭 孙成才 |
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| 作者单位： | 西南科技大学,材料科学与工程学院,绵阳,621010 |
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| 摘 要： | 本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化学理论与实验研究情况,综述了国内外学者对碳菁分子的量子化学计算方法的研究进展.归纳了碳菁分子的量子化学计算的发展方向.
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| 关 键 词： | null |
| 文章编号： | 1005-281X（2007）06-0878-06 |
| 收稿时间： | 2006-07 |
| 修稿时间： | 2006-072006-10 |
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| Lei Yonglin,Huo Jichuan,Duan Xiaohui,Ye Xu,Sun Chengcai.null[J].Progress in Chemistry,2007,19(6):878-883. |
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| Authors: | Lei Yonglin Huo Jichuan Duan Xiaohui Ye Xu Sun Chengcai |
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| Institution: | School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China |
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| Abstract: | The quantum chemical theoretic and experimental studies on the configuration, state of aggregation and carboeyanine molecular structure domino effect of its properties are introduced in this paper. The advances of study in the carboeyanine molecular quantum chemical calculation method are reviewed. The progress direction of the carbocyanine molecular quantum chemical calculation is summed up. |
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| Keywords: | carbocyanine dyes configuration state of aggregation structures and properties the quantum chemical calculation |
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