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Updated: Jul 17, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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原子集群全球优化禁忌搜索方法与盆地跳跃算法的比较

Nicholas B Smith1,2, Tim Jowett3, Diana Yu2,4

  • 1Department of Chemistry, University of Otago, P.O. Box 56, Dunedin 9054, New Zealand.

Journal of chemical information and modeling
|September 4, 2023
PubMed
概括

盆地跳跃算法 (BHA) 增强了禁忌搜索,以改善原子集群能量表面探索. 对于多道系统来说,拒绝迁移到最近访问的地区被证明更有效.

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