Salman Muhammad, Iqbal Javaria
School of Mathematics and Physics, Anqing Normal University, Anqing 246133, P. R. China.
Department of Mathematics, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
Comb Chem High Throughput Screen. 2024 Oct 2. doi: 10.2174/0113862073328860240910103148.
The number of atoms producing a bond with an atom a in a molecular structure (graph) is regarded as the valency of a. A number of molecular structures have been topologically characterized via a large number of valency-based topological indices, which correlate certain physio-chemical properties like boiling point, stability, strain energy, and many more chemical compounds.
Our intention is to perform the topological characterization of primitive coronoid structures initially on the base of seven different valency-based topological indices. Fundamentally, our purpose is to provide the universal formula by using the topological characterization of any primitive coronoid structures with any valency-based topological index.
The technique of atom-bonds partitions according to the valency of atoms besides counting principals are used to find the results.
Exact values of valency-based topological index, namely the Randic index, sum connectivity index, harmonic index, atom bond connectivity index, geometric arithmetic index, forgotten index, and symmetric division index are calculated coronoid structures initially constructed with at most three benzene lyres. All these indices are valency-dependent structural invariants that have been used to elaborate several chemical properties of compounds of the structure.
Moreover, we provide the general formula to compute any valency-based topological index for any type of coronoid structure constructed with any number of benzene lyres.
在分子结构（图）中，与原子a形成键的原子数量被视为a的价。许多分子结构已通过大量基于价的拓扑指数进行拓扑表征，这些指数与某些物理化学性质相关，如沸点、稳定性、应变能以及更多化合物的性质。
我们的意图是最初基于七种不同的基于价的拓扑指数对原始冠状结构进行拓扑表征。从根本上说，我们的目的是通过使用具有任何基于价的拓扑指数的任何原始冠状结构的拓扑表征来提供通用公式。
除了计数原则外，还使用根据原子价进行原子键划分的技术来得出结果。
计算了最初用最多三个苯环构建的冠状结构的基于价的拓扑指数的精确值，即兰迪奇指数、和连通性指数、调和指数、原子键连通性指数、几何算术指数、遗忘指数和对称划分指数。所有这些指数都是与价相关的结构不变量，已用于阐述该结构化合物的几种化学性质。
此外，我们提供了通用公式，用于计算由任意数量苯环构建的任何类型冠状结构的任何基于价的拓扑指数。
