| 引用本文： |
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龙剑英,龙翔云,叶国桢.淀粉分子电子结构的量子化学研究(Ⅱ):碎片分子轨道计算及结构单元间的相互作用[J].广西科学,2002,9(1):38-42. [点击复制]
- Long Jianying,Long Xiangyun,Ye Guozhen.A Quantum Chemistry Research on Electronic Structure of Starch Molecules(Ⅱ): Fragment Molecular Orbital Calculation, Interaction between Structure Units[J].Guangxi Sciences,2002,9(1):38-42. [点击复制]
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| 摘要: |
| 运用量子化学的碎片分子轨道计算方法研究淀粉结构单元间的相互作用。结果表明,各结构单元的分子轨道大多定域在自身范围内。结构单元间的相互作用集中在连接两环的成键性较弱的糖苷键上。脱水葡萄糖单元环数的增加对环上活性中心的反应活性影响不大。 |
| 关键词: 淀粉 结构单元 相互作用 碎片分子轨道计算 |
| DOI： |
| 投稿时间：2001-04-11修订日期：2001-05-25 |
| 基金项目: |
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| A Quantum Chemistry Research on Electronic Structure of Starch Molecules(Ⅱ): Fragment Molecular Orbital Calculation, Interaction between Structure Units |
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Long Jianying, Long Xiangyun, Ye Guozhen
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| (College of Chemistry and Chemical Engineering, Guangxi University, 10 Xixiangtanglu, Nanning, Guangxi, 530004, China) |
| Abstract: |
| Interaction between structure units in starch is studied by means of molecular orbital calculation for molecule fragments. It is clear that increasing the number of dehydrated glucose units has little effect on properties of reaction active centres owing to the weaker interaction between basic structure unit in dehydrated glucose chain of starch, The interaction mostly takes place on weaker indican bond because of many orbitals of each fragment located in the structure unit. |
| Key words: starch structune unit interaction molecular orbital calculation for molecule fragment |
