Dataset for: Ice Growth from Supercooled Aqueous Solutions of Reactive Oxygen Species

Representative GROMACS input files used to run the simulations reported in the publication dx.doi.org/10.1007/s00214-012-1309-5. Free energy minima were observed for several Reactive Oxygen Species (ROSs) at the air/ice interfaces. Examined the effect of ROSs in supercooled water during the freezing process.

用于运行文献dx.doi.org/10.1007/s00214-012-1309-5中报道的模拟的代表性GROMACS输入文件。在空气/冰界面处观察到多种活性氧物种（Reactive Oxygen Species, ROSs）的自由能最小值。本研究考察了冷冻过程中活性氧物种在过冷水中的作用。