A STUDY ON THE REACTIONPATH(INTRINSICREACTION COORDINATE) OF REARRANGEMENT OF VINYLIDENE TOACETYLENE

来源 :科学通报：英文版 | 被引量 : 0次 | 上传用户：sun_sun

【摘要】

：

<正> At present, the intrinsic reaction coordinate (IRC)proposed by K. Fukui is a unique quantum chemical method that can find out the coordinate—anindependent

【作者】

：

于建国刘若庄

【机构】

：

QuantumChemistryGroup,DepartmentofChemistry,BeijingNormalUniversity,BeijingNormalUniversity

【出处】

：

科学通报：英文版

【发表日期】

：

1984年9期

【关键词】

：

COORDINATE simultaneous INTRINSIC mentioned substituted EXTENDING AGREE

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<正> At present, the intrinsic reaction coordinate (IRC)proposed by K. Fukui is a unique quantum chemical method that can find out the coordinate—anindependent 'reaction path' of a chemical reaction.K. Morokuma proposed a numerical method tha

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A STUDY ON THE REACTIONPATH(INTRINSICREACTION COORDINATE) OF REARRANGEMENT OF VINYLIDENE TOACETYLENE

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