What significance do theoretical concepts in chemistry have?

被引:1
|
作者
Reiher, M [1 ]
Netz, PA [1 ]
机构
[1] Univ Erlangen Nurnberg, Lehrstuhl Theoret Chem, D-91058 Erlangen, Germany
关键词
D O I
10.1002/ciuz.19990330312
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Chemical concepts are important to gain a qualitative understanding of chemistry. They are needed to find interesting questions to which experimental research as well as quantum-chemical investigations and computer simulations can contribute. We point out why chemical concepts should be seen as an important and from fundamental physical theories to a certain degree independent part of chemistry. An overview and analysis of some concepts - which are often introduced only in connection with special examples instead of a discussion for their own sake - are given. We take a closer look at some concepts to illustrate our assertions. An analysis of the stability of the cyclic (MoNL3)-trimer demonstrates how these concepts work and what they can tell us about this special case.
引用
收藏
页码:177 / 185
页数:9
相关论文
共 50 条