nciatlas
收藏国家生物信息中心2025-10-11 更新2025-03-15 收录
下载链接：
https://www.nciatlas.org
下载链接
链接失效反馈官方服务：
资源简介：
It comprises 250 complexes where Cl, Br, I, S, Se, P and As interact with diverse electron donors. An accurate CCSD(T)/CBS benchmark is provided for ten points along a dissociation curve of each complex. The SH250×10 set is used in testing a wide variety of DFT functionals and semiempirical quantum-mechanical methods.
提供机构：
Czech Academy of Sciences
创建时间：
2023-08-28
