AN ATTEMPTED APPLICATION OF EXTENDED HUCKEL MOLECULAR ORBITAL APPROACH TO REACTIONS INVOLVING CHARGED SPECIES

被引：19

作者：

HOPKINSO.AC

MCCLELLA.RA

YATES, K

CSIZMADI.IG

机构：

[1] Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto

来源：

THEORETICA CHIMICA ACTA | 1969年 / 13卷 / 01期

关键词：

D O I：

10.1007/BF00527320

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The semi-empirical extended Hückel molecular orbital (EHMO) and non-empirical self consistent field molecular orbital (SCF-MO) methods have been used to study protonation reactions of acids, amides and esters. The work has been extended to the charged intermediates and subsequent products in their hydrolysis" reactions. © 1969 Springer-Verlag."

引用

页码：65 / &

共 27 条

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