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Application of fractal entropies in atoms and molecules
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-06-28 , DOI: 10.1016/j.cplett.2018.06.055
N. Flores-Gallegos

In this letter, we discuss a expression of the continuous fractal entropy. The expression proposed fulfills in a rigorous way the dimensionless criterion and it is strictly positive overall space, the applications were done on the first thirty-six neutral atoms and in a set of 1863 molecules. The results obtained in molecules, permit us to introduce the concept of par-paene-entropic molecules, which means molecules with almost the same entropic content, this permits us to identify some groups of molecules that could be structurally different but some of them could be equivalent from the chemical reactivity point of view.



中文翻译:

分形熵在原子和分子中的应用

在这封信中,我们讨论了连续分形熵的表达式。所提出的表达式严格地满足了无量纲标准,并且它是严格正的整体空间,其应用是在前三十六个中性原子和一组1863个分子中进行的。在分子中获得的结果,使我们能够引入对位熵分子的概念,这意味着具有几乎相同的熵含量的分子,这使我们能够识别出结构上可能有所不同的一些分子组,但其中一些可能是从化学反应性的观点来看是等效的。

更新日期:2018-06-28
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