Published December 5, 2023 | Version v1
Dataset Open

Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations

Creators

  • 1. ROR icon University of Chicago
  • 2. ROR icon Purdue University West Lafayette

Description

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.

Files

README.txt

Files (18.4 GB)

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