Minnesota Solvation Database (MNSOL) version 2012
收藏DataCite Commons2025-01-14 更新2025-04-09 收录
下载链接：
http://hdl.handle.net/11299/213300
下载链接
链接失效反馈官方服务：
资源简介：
The Minnesota Solvation Database consists of a collection of 3037 experimental free energies of solvation or transfer free energies for 790 unique solutes in 92 solvents (including water) and gas-phase M06-2X/MG3S optimized molecular geometries in Cartesian coordinates for the corresponding solutes. All of the 790 solutes in this database (541 neutrals and 249 singly-charged ions) contain at most the following elements: H, C, N, O, F, Si, P, S, Cl, Br, and I.
提供机构：
Data Repository for the University of Minnesota (DRUM)
创建时间：
2020-05-19
