HMO characteristic polynomial and select eigenvalues for many heterocyclic benzenoids are calculated by using chemicalgraph theory methods.
应用化学图论计算了杂环芳烃HMO的选择本征值和本征多项式。
2
To solve the difficulty in modeling a chemical system a new node granularity transformation method based on object directed acyclic graph was proposed.
针对化工系统模型难以确定的问题，提出了基于对象的有向无环图节点粒度的转换方法。
3
A new computer representation for the chemical entities: Condesed Graph of Synthesis (CGS), is presented in this paper.