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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
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Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles

机译:用于估计无机离子固体标准熵的两种经验公式以及两个相关电子结构原理之间的可能连接

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摘要

Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well as the cube root of the diamagnetic susceptibility, building a bridge between conceptual density functional theory and solid state chemistry. It is noted that the stabilities of inorganic ionic crystals are closely related to their molar diamagnetic susceptibilities. The suggested correlation provides a connection between the maximum entropy and minimum magnetizability principles.
机译:提出了两个估算某些无机离子固体标准熵的经验公式。提出了标准熵与单位体积公式的立方根以及抗磁磁化率的立方根之间的线性关系,在概念密度泛函理论和固体化学之间架起了一座桥梁。指出无机离子晶体的稳定性与其摩尔抗磁性密切相关。建议的相关性提供了最大熵和最小磁化率原则之间的联系。

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