在Arn团中溶解的K+离子的结构和稳定性

Marwa Slama1, Maha Laajimi2, Houcine Ghalla2

  • 1Laboratoire d'Études des Milieux Ionisés et Réactifs (EMIR), Institut Préparatoire aux Études des Ingénieurs de Monastir, Monastir, 5000, Tunisia.

概括

本研究探讨了使用蒙特卡洛模拟和DFT在集群 (Ar_n) 中的离子 (K+) 溶解. 在n=12左右,结构过渡到二面体形态发生,这对理解离子溶解动态有意义.

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