| STUDIES ON THE TOPOLOGICAL PROPERTY OF POTENTIAL ENERGY PROFILE OF ELEMENTARY REACTIONS |
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| 引用本文： | 方建云,唐敖庆. STUDIES ON THE TOPOLOGICAL PROPERTY OF POTENTIAL ENERGY PROFILE OF ELEMENTARY REACTIONS[J]. 中国科学B辑(英文版), 1992, 0(8) |
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| 作者姓名： | 方建云 唐敖庆 |
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| 作者单位： | Institute of Theoretical Chemistry，Jilin University，Changchun 130023，PRC，Institute of Theoretical Chemistry，Jilin University，Changchun 130023，PRC |
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| 基金项目： | Project supported by the National Natural Science Foundation of China. |
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| 摘 要： | In the present paper cusp catastrophe is used to model the topological property of poten-tial energy profile of elementary reactions, and four typical situations, which can be trans-formed into two types, have been systematically analyzed with 58 independent elementaryreactions. The main results obtained here are (i) the concept of activation energy is brieflydiscussed and extended; (ii) the reaction O+ CO→CO_2 is found to belong to type Ⅳ, not totype Ⅰ;and (iii) there may be some special correlation between α_1 and α_2. Finally the neces-sary discussions are carried out.
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STUDIES ON THE TOPOLOGICAL PROPERTY OF POTENTIAL ENERGY PROFILE OF ELEMENTARY REACTIONS |
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| FANG JIAN-YUN,TANG AO-QING Institute of Theoretical Chemistry,Jilin University,Changchun ,PRC. STUDIES ON THE TOPOLOGICAL PROPERTY OF POTENTIAL ENERGY PROFILE OF ELEMENTARY REACTIONS[J]. Science in China(Chemistry), 1992, 0(8) |
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| Authors: | FANG JIAN-YUN TANG AO-QING Institute of Theoretical Chemistry Jilin University Changchun PRC |
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| Affiliation: | FANG JIAN-YUN,TANG AO-QING Institute of Theoretical Chemistry,Jilin University,Changchun 130023,PRC |
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| Abstract: | |
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| Keywords: | cusp catastrophe potential energy profile topological property reaction activation energy and enthalpy change |
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