Putative global minima for hydrated chlorate ions with 1-20 water molecules. from Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters
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https://rs.figshare.com/articles/dataset/Putative_global_minima_for_hydrated_chlorate_ions_with_1-20_water_molecules_from_Isomers_and_energy_landscapes_of_micro-hydrated_sulfite_and_chlorate_clusters/5753412
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资源简介:
Putative GM structures and energies in kcal/mol for chlorate ions with 1-20 water molecules in XYZ format.
采用XYZ格式(XYZ format)存储的、包含1至20个水分子的氯酸根离子的推定全局极小值(Global Minimum,GM)结构与能量(单位:千卡每摩尔)
提供机构:
The Royal Society
创建时间:
2018-01-03



