封面：来自键序和居群关系的振动配分函数（chemphyscheme 14/2025）

IF 2.2 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemphyschem Pub Date : 2025-07-19 DOI:10.1002/cphc.70043

Barbaro Zulueta, John A. Keith

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引用次数: 0

摘要

封面说明了一种新的计算方法，该方法将振动热能跨越单个化学键。这种方法为基于振动配分函数的传统统计力学提供了一种新颖的替代方案，能够对化学空间的热力学行为进行局部洞察，并推进对振动对能量贡献的解释。更多信息可以在B. Zulueta和J. A. Keith的研究文章中找到（DOI: 10.1002/cphc.202500085）。背景图片：NASA， ESA， CSA, STScI。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Front Cover: Vibrational Partition Functions from Bond Order and Populations Relationships (ChemPhysChem 14/2025)

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Front Cover: Vibrational Partition Functions from Bond Order and Populations Relationships (ChemPhysChem 14/2025)

The Front Cover illustrates a new computational method that partitions vibrational thermal energy across individual chemical bonds. This approach offers a novel alternative to traditional statistical mechanics based on vibrational partition functions, enabling localized insight into thermodynamic behavior across chemical space and advancing the interpretation of vibrational contributions to energy. More information can be found in the Research Article by B. Zulueta and J. A. Keith (DOI: 10.1002/cphc.202500085). Background image: NASA, ESA, CSA, STScI.

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来源期刊

Chemphyschem 化学-物理：原子、分子和化学物理

CiteScore

4.60

自引率

3.40%

发文量

425

审稿时长

1.1 months

期刊介绍： ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.