School of Mathematics and Statistics, Zhaoqing University, Zhaoqing, 526061, Guangdong, P.R. China.
Institute of Mathematics, Academia Sinica, Taipei, 10617, Taiwan.
Mol Inform. 2019 Apr;38(4):e1800116. doi: 10.1002/minf.201800116. Epub 2019 Jan 7.
The modified first Zagreb connection index ( ) is a molecular descriptor, which was initially appeared within a formula of the total electron energy of alternant hydrocarbons in 1972. In a recent paper [A. Ali, N. Trinajstić, A novel/old modification of the first Zagreb index, Mol. Inform. 37 (2018) 1800008], it was observed that the molecular descriptor correlates well with the entropy and acentric factor of octane isomers. In this article, the molecules with the first three maximal values as well as the first three minimal values are determined from the family of all alkanes with n carbon atoms, for . This extends the main results of the aforementioned paper.
修正的第一扎格布连接指数（ ）是一个分子描述符，最初出现在 1972 年交替烃总电子能公式中。在最近的一篇论文中[Ali，N. Trinajstić，第一扎格布指数的一种新/旧修正，Mol. Inform. 37 (2018) 1800008]，观察到分子描述符 与辛烷异构体的熵和偏心因子很好地相关。在本文中，对于 ，从所有具有 n 个碳原子的烷烃家族中确定了前三个最大 值和前三个最小 值的分子。这扩展了上述论文的主要结果。
