| Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH_3O+CO |
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| 引用本文： | 周正宇,程学礼,郭丽. Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH_3O+CO[J]. 中国化学, 2002, 0(8) |
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| 作者姓名： | 周正宇 程学礼 郭丽 |
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| 作者单位： | ZHOU，Zheng Yu，a，b CHENG，Xue Li a GUO，Li a a Department of Chemistry，Qufu Normal University，Qufu，Shandong 273165，China b State Key Laboratory Crystal Materials，Shandong University，Jinan，Shandong 250100，China |
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| 基金项目： | ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No .2 96 730 5 )，theNaturalScienceFoundationofShandongProvince (No .Y99B0 1)andtheStateKeyLaboratoryFoundationofCrystalMaterial. |
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| 摘 要： | ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｍｅｔｈｏｘｙｒａｄｉｃａｌ (ＣＨ3Ｏ)ｉｓａｎｉｍｐｏｒｔａｎｔｉｎｔｅｒ ｍｅｄｉａｔｅｉｎｔｈｅｐｈｏｔｏｃｈｅｍｉｃａｌｏｘｉｄａｔｉｏｎｏｆｈｙｄｒｏｃａｒｂｏｎｓｉｎｔｈｅａｔｍｏｓｐｈｅｒｅ ,1 3ａｎｄｐｌａｙｓａｓｉｇｎｉｆｉｃａｎｔｒｏｌｅｉｎｔｒａｎｓ ｆｏｒｍｉｎｇｎｉｔｒｉｃｏｘｉｄｅｔｏｎｉｔｒｏｇｅｎｄｉｏｘｉｄｅ .4 Ｓｉｍｉｌａｒｌｙ ,ｔｈｅｒｅａｃｔｉｏｎｍｅｃｈａｎｉｓｍｓｏｆｈｙｄｒｏｘｙｌａｎｄｃａｒｂｏｎｍｏｎｏｘｉｄｅ5,6ａｎｄｏ…
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Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH_3O+CO |
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| ZHOU,Zheng Yu,a,b CHENG,Xue Li a GUO,Li a a. Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH_3O+CO[J]. Chinese Journal of Chemistry, 2002, 0(8) |
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| Authors: | ZHOU Zheng Yu a b CHENG Xue Li a GUO Li a a |
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| Affiliation: | ZHOU,Zheng Yu,a,b CHENG,Xue Li a GUO,Li a a Department of Chemistry,Qufu Normal University,Qufu,Shandong 273165,China b State Key Laboratory Crystal Materials,Shandong University,Jinan,Shandong 250100,China |
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| Abstract: | On the basis of the computed results got by the Gaussian 94 package at B3LYP/6 311++G** level, the reaction mechanism of CH 3O radical with CO has been investigated thoroughly via the vibrational model analysis. And the relationships among the reactants, eight transition states, four intermediates and various products involved this multichannel reaction are elucidated. The vibrational mode analysis shows that the reaction mechanism is reliable. |
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| Keywords: | multichannel reaction vibrational mode analysis B3LYP CH 3O |
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