分子结构的拓扑表示法

A Topological Method of Expression of Molecular Structures

讨论了分子结构的拓扑表示法。这个方法是基于梯度场在势能超曲面上的吸引子而建立的。它为我们提供了分子稳定结构和过渡态结构之间的联系。

The concept of molecular structure is a topological rather than a geometrical one. In this article we discuss a topological method of expression of molecular structures. The method based on the attractors of the gradient field of the potential energy hypersurface and we have established a possible connection between the stable chemical structures and the transition structures.