Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations
收藏Zenodo2023-12-05 更新2026-04-07 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.10265717
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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：
University of Chicago; Purdue University West Lafayette
创建时间：
2023-12-05
