Two amine, one boron TS, Cl rotamer, + methanol to match previous -2324.291290 ==> -2439.895393 ==> -3,462.115531 (was -3,462.110467 for chloride rotamer)
收藏DataCite Commons2023-02-13 更新2025-04-16 收录
下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=11896
下载链接
链接失效反馈官方服务:
资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2022-11-20



