Data set related to the manuscript "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores"

Graphical files in the agr format for all the figures in the manuscript entitled "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores". Examples of input files for the density functional theory, lattice and molecular dynamics simulations are also provided.本数据集包含题为《理解碳纳米孔中吸附的水溶液电解质物种的化学位移（Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores）》的学术手稿中所有配图的agr格式图形文件。此外，还提供了密度泛函理论（density functional theory）、晶格模拟及分子动力学模拟（molecular dynamics simulations）的输入文件示例。