当前位置:
X-MOL 学术
›
Int. J. Quantum Chem.
›
论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The minimal chemical tree for the difference between geometric–arithmetic and Randić indices
International Journal of Quantum Chemistry ( IF 2.2 ) Pub Date : 2024-01-05 , DOI: 10.1002/qua.27336 Sourav Mondal 1, 2 , Kinkar Chandra Das 1 , Da‐yeon Huh 1
International Journal of Quantum Chemistry ( IF 2.2 ) Pub Date : 2024-01-05 , DOI: 10.1002/qua.27336 Sourav Mondal 1, 2 , Kinkar Chandra Das 1 , Da‐yeon Huh 1
Affiliation
Topological indices are numerical parameters derived from the structural information of chemical compounds. By providing a quantitative description of molecular structures, topological indices enable researchers to predict various properties and behaviors of molecules. The Randić index ( ) and the geometric–arithmetic index ( ) are widely recognized topological indices. It is observed that, for any given graph . We aim to investigate the gap between and for chemical tree. The complete characterization of minimal chemical tree for is carried out here. This article offers an interesting finding that, whereas and provide same minimal chemical trees, yields minimal tree structures that are totally different from and . Moreover is observed to correlate well with physico-chemical properties of octanes.
中文翻译:
几何算术指数和 Randić 指数之间差异的最小化学树
拓扑指数是从化合物的结构信息导出的数值参数。通过提供分子结构的定量描述,拓扑指数使研究人员能够预测分子的各种性质和行为。兰迪克指数 ( )和几何算术索引( )是广泛认可的拓扑指数。据观察, 对于任何给定的图 。我们的目标是调查之间的差距 和 对于化学树。最小化学树的完整表征 是在这里进行的。本文提供了一个有趣的发现,尽管 和 提供相同的最小化学树, 产生与以下完全不同的最小树结构 和 。而且 据观察,它与辛烷的物理化学性质有很好的相关性。
更新日期:2024-01-08
中文翻译:
几何算术指数和 Randić 指数之间差异的最小化学树
拓扑指数是从化合物的结构信息导出的数值参数。通过提供分子结构的定量描述,拓扑指数使研究人员能够预测分子的各种性质和行为。兰迪克指数 (