Modelling of solvent effects on the Diels-Alder reaction

被引:104
作者
Cativiela, C
Garcia, JI
Mayoral, JA
Salvatella, L
机构
关键词
D O I
10.1039/cs9962500209
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This review presents a summary of the-different approaches used quantitatively to describe solvent effects on Diels-Alder reactions. Basically, two methodologies are considered: on the one hand, empirical models, based on solvent parameter scales and linear regression analyses, and on the other hand, theoretical models, based on quantum chemical and Monte Carlo calculations. It is shown that both approaches lead to similar conclusions, and provide complementary information on these processes.
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页码:209 / &
页数:11
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