Graphene/oxide plates and polymers molecular structure documents

These structures were used in molecular dynamics simulations (Materials Studio, Forcite, COMPASS III) to qualitatively observe and quantitatively assess interactions between graphene or graphene oxide plates and epoxy, ABS, or PDMS. Dataset has been amended to include the structure file documents in .mol2 file format. 4/4/2022.

本数据集应用于分子动力学模拟（材料设计工作室、Forcite、COMPASS III），旨在定性观察并定量评估石墨烯或氧化石墨烯板与环氧树脂、ABS或PDMS之间的相互作用。数据集已更新，包含以.mol2格式存储的结构文件文档。更新日期：2022年4月4日。