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arXiv 1502.01223math.CO
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用拓扑指数研究最低法沸点的简单醇

Simple Alcohols with the Lowest Normal Boiling Point Using Topological Indices

Mikhail Goubko, Oleg Miloserdov

摘要:

我们找到了具有给定碳原子数和最小正常沸点的简单饱和醇。预测的沸点的加权和的广义第一萨格勒布指数,第二萨格勒布指数,维纳指数顶点加权图,和一个简单的指数照顾的程度的碳原子入射到羟基。为了找到极端的醇分子,我们表征化学树的顺序$n$,最小化的第二萨格勒布指数和广义的第一萨格勒布指数的总和,也建立化学树,最小化的维纳指数在所有的化学树给定的顶点权重。

英文摘要:

We find simple saturated alcohols with the given number of carbon atoms and the minimal normal boiling point. The boiling point is predicted with a weighted sum of the generalized first Zagreb index, the second Zagreb index, the Wiener index for vertex-weighted graphs, and a simple index caring for the degree of a carbon atom being incident to the hydroxyl group. To find extremal alcohol molecules we characterize chemical trees of order $n$, which minimize the sum of the second Zagreb index and the generalized first Zagreb index, and also build chemical trees, which minimize the Wiener index over all chemical trees with given vertex weights.

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