| 显色剂性能的量子化学方法(PPP法)研究 |
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| 引用本文： | 李梦龙,章开诚.显色剂性能的量子化学方法(PPP法)研究[J].高等学校化学学报,1987,8(3):260. |
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| 作者姓名： | 李梦龙 章开诚 |
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| 作者单位： | 湖南大学化学化工系 |
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| 摘 要： | 编制了适于有机显色剂电子结构与光谱性能研究的PPP法计算程序。用此程序计算了吡啶偶氮显色剂系列,并对部分显色剂进行实验,结果发现计算与实验的长波吸收波长有较好的一致性。
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| 收稿时间： | 1985-10-25 |
Quantum-Chemical Calculations(PPP Method) of Some Properties of Organic Reagents |
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| Li Menglong,Zhang Kaicheng.Quantum-Chemical Calculations(PPP Method) of Some Properties of Organic Reagents[J].Chemical Research In Chinese Universities,1987,8(3):260. |
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| Authors: | Li Menglong Zhang Kaicheng |
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| Institution: | Chemical and Ohemioal Engineering Department, Hunan University, Changsha |
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| Abstract: | Acomputer program of PPPmethod for the electronic structures and spectroscopic properties of organic reagents has been prepared. Pyridyl azo reagent series have been studied with this program. The wave-long absorption spectra of some organic reagents determined by our experiments were compared with the calculated results and a good agreement was found. |
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