| 物理有机化学程序包 |
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| 引用本文： | 李卫星 张永敏. 物理有机化学程序包[J]. 计算机与应用化学, 1991, 8(1): 45-48 |
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| 作者姓名： | 李卫星 张永敏 |
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| 作者单位： | 杭州大学化学系，杭州大学化学系 |
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| 摘 要： | 本文介绍物理有机化学程序包 PHYORG,可用于反应级数的确定,由三维空间坐标图推断反应过渡状态,周环反应可能性的推断,以及速率因子的计算等。
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| 关 键 词： | 物理有机化学 程序包 PHYORG |
Computer Program Package for Physical Organic Chemistry |
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| Li Weixing Zhang Yongmin. Computer Program Package for Physical Organic Chemistry[J]. Computers and Applied Chemistry, 1991, 8(1): 45-48 |
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| Authors: | Li Weixing Zhang Yongmin |
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| Affiliation: | Department of Chemistry Hangzhou University |
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| Abstract: | This artical introduces a program package PHYORG,which can be used to calculatethe rate order of organic reactions and other kinetical information with experimental dataprovided,The prediction of the change of transition state of some organic reactions andthe possibility of pericyclo reactions are stated. |
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| Keywords: | Physical organic chemistry Program package |
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