Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations
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https://zenodo.org/record/10265716
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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.
创建时间：
2023-12-07
