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Updated: Jun 14, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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从古典和ab initio分子动力学的水-氨混合物的结构

Gianmarco Munaò1, Franz Saija2, Giuseppe Cassone2

  • 1Department of Mathematical and Computer Sciences, Physical Sciences and Earth Sciences, University of Messina, 98166 Messina, Italy.

The Journal of chemical physics
|September 4, 2024
PubMed
概括

经典力场难以准确地模拟水性氨溶液,低估了键,特别是在低度下. 开发极化模型对于更好地模拟这些系统至关重要.

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