A Structure-Dynamics Relationship Enables Prediction of the Water Hydrogen Bond Exchange Activation Energy from Experimental Data: RDF and RDF Derivative Data for Water Models

This dataset contains the RDFs and RDF derivatives calculated for a variety of water models calculated from 50 ns molecular dynamics trajectories at 298.15 K and 1 bar.本数据集包含针对多种水模型（water models）计算得到的径向分布函数（Radial Distribution Function，RDF）及其衍生量，所有数据均由298.15 K、1 bar条件下的50 ns分子动力学轨迹（molecular dynamics trajectories）计算得到。