| A quantum chemical study on the mechanism of the consecutive addition of HCN to propionitrile |
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| 作者姓名： | HONG San-Guo WANG Sheng |
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| 作者单位： | HONG，San-Guo WANG，Sheng Department of Chemistry，Jiangxi Normal University，Nanchang，Jiangxi 330027，China |
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| 基金项目： | Project supported by the National Natural Science Foundation of Jiangxi Province. |
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| 摘 要： | MINDO/3 MO method has been used to study the mechanism of the consecutive addition of HCN to propionitrile. The results obtained for the first five steps show that the reaction is exothermic, and step 1 is the rate determining step.
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A quantum chemical study on the mechanism of the consecutive addition of HCN to propionitrile |
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| HONG,San-Guo WANG,Sheng.A quantum chemical study on the mechanism of the consecutive addition of HCN to propionitrile[J].Chinese Journal of Chemistry,1994,12(6):490-494. |
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| Authors: | HONG San-Guo WANG Sheng |
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| Institution: | HONG,San-Guo WANG,Sheng Department of Chemistry,Jiangxi Normal University,Nanchang,Jiangxi 330027,China |
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| Abstract: | MINDO/3 MO method has been used to study the mechanism of the consecutive addition of HCN to propionitrile. The results obtained for the first five steps show that the reaction is exothermic, and step 1 is the rate determining step. |
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| Keywords: | MINDO/3 method transition state the intrinsic reaction coordinate(IRC) |
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