MCSCF STUDIES ON THE IRC AND REACTION RATE CONSTANTS FOR THE DEHYDROGENATION REACTION OF VINYL RADIC

来源 :Chinese Chemical Letters | 被引量 : 0次 | 上传用户：Sunmin

【摘要】

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The transition state(TS) and Intrinsic Reaction Coordinate (IRC) for the titled reaction were traced by means of MCSCF/6-31G (210 configurations). The reaction

【出处】

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Chinese Chemical Letters

【发表日期】

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1993年5期

【关键词】

：

titled TUNNELING RATE CONSTANTS traced 班州 elude 孙一台五 approx

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The transition state(TS) and Intrinsic Reaction Coordinate (IRC) for the titled reaction were traced by means of MCSCF/6-31G (210 configurations). The reaction activation energy of this reaction is 140.2KJ/mol. The reaction rate constants of five temperet

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MCSCF STUDIES ON THE IRC AND REACTION RATE CONSTANTS FOR THE DEHYDROGENATION REACTION OF VINYL RADIC

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