4.7 Article

Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 141, 期 7, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.4893178

关键词

-

资金

  1. Natural Sciences and Engineering Research Council (NSERC) of Canada

向作者/读者索取更多资源

Semiquantitative relationships between the mean static dipole polarizability and other molecular properties such as the volume, ionization energy, electronegativity, hardness, and moments of momentum are explored. The relationships are tested using density functional theory computations on the 1641 neutral, ground-state, organic molecules in the TABS database. The best polarizability approximations have median errors under 5%. (C) 2014 AIP Publishing LLC.

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。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据