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小气相分子的克罗内克积周期系统以及对任意相原子系综中秩序的探寻。

Kronecker-product periodic systems of small gas-phase molecules and the search for order in atomic ensembles of any phase.

作者信息

Hefferlin Ray

机构信息

Southern Adventist University, Collegedale, Tennessee 37315, USA.

出版信息

Comb Chem High Throughput Screen. 2008 Nov;11(9):691-706. doi: 10.2174/138620708786306041.

Abstract

The periodic law, manifested in the chart of the elements, is so fundamental in chemistry and related areas of physics that the question arises "Might periodicity among molecules also be embodied in a periodic system?" This review paper details how a particular periodic system of gas-phase diatomic molecules, allowing for the forecasting of thousands of new data, was developed. It can include ionized and even quarked-nuclei molecules and it coincides with locality (averaging) and the additivity found in some data; it has interesting vector properties, and it may be related in challenging ways to partial order. The review then explains how periodic systems for triatomic and four-atomic species are evolving along a similar path. The systems rest largely upon exhaustive comparisons of tabulated data, relate to some extent to the octet rule, and include reducible representations of the dynamic group SO(4) in higher spaces. Finally, the paper shows how periodicity can be quantified in data for larger molecules. Data for properties of homologous or substituted molecules, in any phase, are quantified with a vector index, and the index for one set can be transformed into that for another set.

摘要

元素周期表中所体现的周期律在化学及相关物理领域极为基础,以至于引发了这样一个问题:“分子间的周期性是否也能体现在一个周期体系中?”这篇综述论文详细阐述了一个特定的气相双原子分子周期体系是如何构建的,该体系能够预测数千个新数据。它可以涵盖离子化甚至夸克化原子核的分子,并且与局部性(平均)以及某些数据中发现的加和性相契合;它具有有趣的向量性质,并且可能以具有挑战性的方式与偏序相关。该综述接着解释了三原子和四原子物种的周期体系是如何沿着类似路径发展的。这些体系很大程度上基于对列表数据的详尽比较,在一定程度上与八隅体规则相关,并且包括高维空间中动态群SO(4)的可约表示。最后,论文展示了如何对更大分子的数据中的周期性进行量化。任何相态下同源或取代分子性质的数据都用一个向量指标进行量化,一组数据的指标可以转换为另一组数据的指标。

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