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Updated: Jan 11, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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分析评价能源第一衍生品对于基于乔莱斯基分解的相对论两组件合集群方法的分析评价

Chaoqun Zhang1, Tianxiang Chen2, Lan Cheng2

  • 1Department of Chemistry, Yale University, New Haven, Connecticut 06511, United States.

Journal of chemical theory and computation
|November 12, 2025
PubMed
概括

这项研究引入了一种基于巧尔斯基分解 (CD) 的高效相对论合集群方法. 新方法准确计算重原子化合物的分子特性,增强计算化学.

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