Performance of Semiempirical DFT Methods for the Supramolecular Assembly of Janus-Face Cyclohexanes (dataset)
收藏DataCite Commons2025-12-11 更新2026-05-07 收录
下载链接：
https://research-portal.st-andrews.ac.uk/en/datasets/2b659cbe-0b5c-4731-80b7-3b015398da66
下载链接
链接失效反馈官方服务：
资源简介：
Computational data (inputs and outputs) underpinning the qnantum-chemical calculations reported in the corresponding paper. The data comprise inputs and outputs for the geometry optimisations and single-point energy calculations (using a variety of commercial programs such as Gaussian and Orca).
提供机构：
University of St Andrews
创建时间：
2025-09-23
