Quercetin and DNA/RNA adsorbed on Graphene

This dataset contains all the inputs to calculate the optimised geometry, band structure, and absorbance of nucleobases and flavonoids adsorbed on graphene.本数据集包含用于计算吸附于石墨烯(graphene)上的核碱基与黄酮类化合物的优化几何构型、能带结构及吸光度所需的全部输入数据。