Are there any magic numbers for water nanodroplets, (H2O) n , in the range 36 ≤ n ≤ 50?
作者： Sergey Kazachenko , Ajit J. Thakkar
DOI: 10.1080/00268976.2010.496377
关键词: Atomic physics 、 Chemical physics 、 Hydrogen bond 、 Range (particle radiation) 、 Maxima and minima 、 Molecule 、 Chemistry
摘要: Improved minima hopping followed by an evolutionary approach to optimization of hydrogen bond topologies is used locate putative global TIP4P water clusters, (H2O) n , for 36 ≤ 50. An analysis the energies, characteristics, and various other properties structures presented. Clusters 43, 46, 48 molecules appear be significantly more stable than clusters similar sizes. The (H2O)43 (H2O)48 have a clathrate-like structure with coiled heptamer in cage.
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