| 分子轨道近似法研究丝光沸石中铝的相对稳定性 |
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| 引用本文： | 薛志元,严德官.分子轨道近似法研究丝光沸石中铝的相对稳定性[J].复旦学报(自然科学版),1990,29(1):49-51. |
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| 作者姓名： | 薛志元 严德官 |
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| 作者单位： | 复旦大学分析测试中心
(薛志元，戴林森)，复旦大学化学系
(严德官)，复旦大学化学系(李全芝) |
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| 摘 要： |
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| 关 键 词： | 铝 稳定性 丝光沸石 量子化学 |
THE RELATIVE STABILITY OF ALUMINIUM IN MORDENITE STUDIED BY MEANS OF CNDO/2 |
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| Xue Zhiyuan,Dai Linsen,.THE RELATIVE STABILITY OF ALUMINIUM IN MORDENITE STUDIED BY MEANS OF CNDO/2[J].Journal of Fudan University(Natural Science),1990,29(1):49-51. |
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| Authors: | Xue Zhiyuan Dai Linsen |
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| Abstract: | The cluster of a five-ring which involves four kinds of unequivalent sites is ta-ken from X-ray single crystal parameter of K~+-mordenite. The calculation reultsby means of CNDO/2 show that the stability order of aluminium is T_1
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| Keywords: | quantum chemistry molecular sieve framework aluminium stability mordenite |
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