QRC: a rapid method for connecting transition structures to reactants in the computational analysis of organic reactivity

被引：45

作者：

Goodman, JM ^{[1
]}

Silva, MA ^{[1
]}

机构：

[1] Unilever Ctr Mol Informat, Dept Chem, Cambridge CB2 1EW, England

来源：

TETRAHEDRON LETTERS | 2003年 / 44卷 / 45期

关键词：

D O I：

10.1016/j.tetlet.2003.09.074

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A new procedure. QRC calculation, is presented which provides useful information for analysing organic reactions and links transition structures to starting materials and products. QRC calculations are an alternative to computationally demanding IRC calculations. which find more information than is needed for this analysis. (C) 2003 Elsevier Ltd. All rights reserved.

引用

页码：8233 / 8236

页数：4

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