| 有机污染物生物降解途径的理论预测 |
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| 引用本文： | 戴树桂,赖城明.有机污染物生物降解途径的理论预测[J].环境化学,1997,16(5):399-404. |
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| 作者姓名： | 戴树桂 赖城明 |
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| 作者单位： | [1]南开大学环境科学系 [2]南开大学化学系 |
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| 基金项目： | 国家自然科学基金资助课题No:29577279 |
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| 摘 要： | 本文报道了一个可用于有的生物降解途径理论预测的软件包，应用ＣＮ－ＤＯ／２方法计算分子的结构参数，经过解析结构参数给出有机污染理论上可能遵循的生物降解途径。
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| 关 键 词： | 生物降解 软件包 有机污染物 |
THEORETICAL PREDICTION OF BIODEGRADATION PATHWAY FOR ORGANIC POLLUTANTS |
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| Dai Shugui Song Wenhua,Zhuang Yuanyi,Lai Chengming,Can Wei.THEORETICAL PREDICTION OF BIODEGRADATION PATHWAY FOR ORGANIC POLLUTANTS[J].Environmental Chemistry,1997,16(5):399-404. |
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| Authors: | Dai Shugui Song Wenhua Zhuang Yuanyi Lai Chengming Can Wei |
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| Abstract: | A microcomputer software package which is useful for study on theoretical prediction for biodegradation pathway of organic pollutants has been reported. It can be used to calculate structure parameter of organic compounds by CNDO/2 method and to analyze it, then the probable biodegradation pathway of organic compounds is predicted. |
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| Keywords: | biodegradation pathway theoretical prediction software package |
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