Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations
收藏官方服务：
资源简介：
All data needed to reproduce the work in "Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations." This includes converged orbitals, CI vectors, multireference diagnostics, and energies.
提供机构：
Zenodo创建时间：
2023-12-07
