| 甲硫氨酸热分解机理的AM1研究 |
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| 引用本文： | 黎 新 胡立新 李 昕 罗明道. 甲硫氨酸热分解机理的AM1研究[J]. 湖北工业大学学报, 1999, 14(Z1): C7 |
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| 作者姓名： | 黎 新 胡立新 李 昕 罗明道 |
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| 作者单位： | ：黎 新 重庆师范专科学校;胡立新 化学工程系;李 昕 湖北三峡学院 |
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| 摘 要： | 用AM1方法全优化计算了甲硫氨酸及其热分解中间产物、最终产物的分子几何构型，得出总能量、键级等数据，通过对键级、定域轨道能以及总能量与键长R
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| 关 键 词： | 甲硫氨酸； 热分解反应机理； AM1 |
| 修稿时间： | 1998-11-15 |
Studies on ThermolyticMechanism of Methionine by AM1 |
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| Li. Studies on ThermolyticMechanism of Methionine by AM1[J]. Journal of Hubei University of Technology, 1999, 14(Z1): C7 |
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| Authors: | Li |
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| Affiliation: | Li Xin Hu Lixin Li Xin Luo Mingdao |
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| Abstract: | In this paper,the geometrical configuration of methionine its thermolyic and final products have been optimized by AM1 methods,respectively Analyzing the calculation results such as bond orders ,localized orbital energies and the variation relationship of total energe and bond length(R C-C ,R C-S ),we present the thermolytic mechanism of methionine |
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| Keywords: | methionine thermolytic mechanism AM1 |
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