| （C2H5O）3P＋SS—异构化的量子化学研究 |
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| 引用本文： | 胡武洪,吴兴发.（C2H5O）3P＋SS—异构化的量子化学研究[J].西南民族学院学报(自然科学版),1999,25(4):375-378. |
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| 作者姓名： | 胡武洪 吴兴发 |
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| 作者单位： | 涪陵师范高等专科学校化学系!重庆涪陵408003 |
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| 摘 要： | 采用ＰＭ３品法对（Ｃ_２Ｈ_５Ｏ）_３Ｐ~＋ＳＳ~－异构化进行了研究，得到了互变异构反应过渡态的几何构型，从理论上论证了这一异构化的机理．
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| 关 键 词： | (C_2H_5O)_3~ SS~- 异构化 PM3法 过渡态 |
A Study of Quantum Chemistry of Isomerism of(C_2H_5O)_3P~ SS~- |
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| HU Wu-hong,WU Xing -fa,SHEN Wei.A Study of Quantum Chemistry of Isomerism of(C_2H_5O)_3P~ SS~-[J].Journal of Southwest Nationalities College(Natural Science Edition),1999,25(4):375-378. |
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| Authors: | HU Wu-hong WU Xing -fa SHEN Wei |
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| Abstract: | For isomerism of (C_2H_5O)_3P~ SS~-, the structure of transition state is studied, and the reaction pathway is investigated by PM3 method in MOPAC 6.00 code.Their reaction mechanism is shown by PM3 calculation. |
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| Keywords: | (C_2H_5O)_3P~ SS~- isomerism PM3 method transition state |
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