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Updated: Jul 18, 2025

Spatial Separation of Molecular Conformers and Clusters
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三酸团:一个新的潜在表面能量

José Bretón1, Javier Hernández-Rojas1, Marta I Hernández2

  • 1Departamento de Física e IUdEA, Universidad de La Laguna, 38200, La Laguna, Tenerife, Spain.

Chemphyschem : a European journal of chemical physics and physical chemistry
|August 23, 2023
PubMed
概括

我们开发了一个新的潜在能量表面,用于三酸-相互作用. 这个模型准确地预测了用三离子杂的He集群,揭示了N=12的稳定性异常,与实验一致.

关键词:
这就是 PES PES PES 的原因.在 ab initio 的计算中,扩散蒙特卡洛的扩散全球优化全球优化分子间的力量是分子间的力量.

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