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5. Computational Investigation of the Substituent Effect on the Intramolecular Proton Transfer Reaction

Computational Investigation of the Substituent Effect on the Intramolecular Proton Transfer Reaction

来源 :结构化学 | 被引量 : 0次 | 上传用户：woshihanxue

【摘 要】

：

The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone(3-OHTRN) have been investigated theoretically by using densit

【作 者】

：

GüL Vedat I?IN Dilara ?zb 

【机 构】

：

ChemistryDepartment

【出 处】

：

结构化学

【发表日期】

：

2014年12期

【关键词】

：

TROPOLONE DERIVATIVE 3-hydroxytropolone the PROTON TRANSFER reaction density fun 

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论文部分内容阅读

The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone(3-OHTRN) have been investigated theoretically by using density functional theory at the level of B3LYP/ 6-31+G** method. The influence of solvent on the pro

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