Abstract

The representation of chemical compounds and chemical networks with the ve-degree and ev-degree is a new idea, and it gives nice and good results of the topological descriptors. These results are utilized to relate the chemical compounds and chemical networks with their chemical properties and bioactivities. Also, the ve-degree and ev-degree topological descriptors are useful in calculation of π-electron energy, decision-making, Kovats constants, boiling point and stability alkanes. In this article, particular attention will be put on the derivation of ve-degree and ev-degree for the benzene ring embedded in the P-type surface network in 2D BR(p, q). In the end, the graphical representation and comparison of the ve-degree and ev-degree topological descriptors for BR(p, q) are discussed.

摘要

用ve - degree和ev- degree表示化合物和化学网络是一个新的想法，它给出了很好的拓扑描述符结果。这些结果用于将化合物和化学网络与其化学性质和生物活性联系起来。此外，ve度和ev度拓扑描述符可用于计算π电子能量、决策、Kovats 常数、沸点和稳定性烷烃。本文将特别关注二维BR中嵌入P型表面网络中的苯环的ve-度和ev-度的推导。( p , q )。最后讨论了BR ( p , q )的ve - degree和ev- degree拓扑描述符的图形表示和比较。