EXPLORATION OF REACTION PATHS FOR THE INTERCONVERSION OF CONFORMERS OF CALIX [4] ARENES USING MMP2 CALCULATIONS

被引：27

作者：

ROYER, J

BAYARD, F

DECORET, C

机构：

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1990年 / 87卷 / 10期

关键词：

D O I：

10.1051/jcp/1990871695

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

MMP2 calculations have been carried out to calculate the energies of activation for the interconversion of the p-isopropylcalix[4]arene conformers. They show that most of the barrier to inversion is to disrupt the circular hydrogen bonding.

引用

页码：1695 / 1700

页数：6

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