期刊
JOURNAL OF CHEMICAL PHYSICS
卷 118, 期 10, 页码 4349-4356出版社
AMER INST PHYSICS
DOI: 10.1063/1.1542875
关键词
-
Fukui functions have been calculated for large numbers of organic molecules, and were found to always be positive. Numeric and algebraic considerations allowed the identification of several boundary conditions for negative values for Fukui functions. Negative Fukui functions are found to be very unlikely, except when very short interatomic distances are present. Recent hypotheses concerning the occurrence of negative Fukui functions are strongly supported by the present approach. (C) 2003 American Institute of Physics.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据