Nonadiabatic vibronic PCET rate prediction from molecular Hessians — software/data companion to Austermann, J. Phys. Chem. B (2026). MIT.
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Updated
Jun 20, 2026 - Python
Nonadiabatic vibronic PCET rate prediction from molecular Hessians — software/data companion to Austermann, J. Phys. Chem. B (2026). MIT.
Supplemental codes for Chemical Reviews article "Coherence in Chemistry: Foundations and Frontiers"
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