Raw data for: "Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution"

The repository contains the coordinates and input files and the output files with the orginal data for the manuscript "Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution". For further information see README.md本数据存储库包含学术论文《水溶液中光酸度预测的溶剂化模型COSMO与EC-RISM对比》所需的坐标文件、输入文件以及带有原始数据的输出文件。更多详细信息请参阅README.md。