| Reaction Mechanism Investigation Using Vibrational Mode Anal—ysis for the Multichannel Reacition of CH3O＋CO |
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| 引用本文： | 周正宇,程学礼,等.Reaction Mechanism Investigation Using Vibrational Mode Anal—ysis for the Multichannel Reacition of CH3O＋CO[J].中国化学,2002,20(8):738-738. |
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| 作者姓名： | 周正宇 程学礼 |
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| 作者单位： | DepartmentofChemistry,QufuNormalUniversity,Qufu,Shandong273165,China |
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| 摘 要： | On the basis of the computed results got by the Gaussian 94 package at B3LYP/6-311 G** level,the reaction mechanism of CH3O radical with CO has been investiagted thoroughly via the vibrational model analysis ,And the relationships among the reactants,eight transition states,four intermediates and various products involved this multichannel reation are eluci-dated,The vibrational mode anaysis shows that the reaction mechanism is relialbe.
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| 关 键 词： | 甲氧基 一氧化碳 多通道反应 振动模拟分析 CH3O CO |
Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH3O + CO |
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| Zheng‐Yu Zhou,Xue‐Li Cheng,Li Guo.Reaction Mechanism Investigation Using Vibrational Mode Analysis for the Multichannel Reaction of CH3O + CO[J].Chinese Journal of Chemistry,2002,20(8):738-738. |
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| Authors: | Zheng‐Yu Zhou Xue‐Li Cheng Li Guo |
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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 CH3O 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 CH3O |
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