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Updated: Jun 23, 2025

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水的分子模型的分层多重标准优化

Aditya Kulkarni1, Michael Bortz2, Karl-Heinz Küfer2

  • 1Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern, 67663 Kaiserslautern, Germany.

Journal of chemical information and modeling
|June 18, 2024
PubMed
概括

这项研究使用多标准优化优化了莱纳德-斯,3位点电荷 (LJ3PC) 水模型. 减少单位方法 (RUM) 成功识别了平衡多种水性质的新模型.

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