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
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资源简介：
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.
创建时间：
2024-01-06
