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Updated: Sep 16, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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使用高阶相对论合集群理论的高度准确的预期值.

Gabriele Fabbro1, Jan Brandejs1, Trond Saue1

  • 1Laboratoire de Chimie et Physique Quantique, UMR 5626 CNRS - Univ Toulouse, 118 Route de Narbonne, F-31062 Toulouse, France.

The journal of physical chemistry. A
|July 11, 2025
PubMed
概括

本研究介绍了对合集群模型的分析能量导数的自动计算. 新的实施方式使得和化合物的核电四极旋转时刻能够精确地确定.

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