Tools
Excited State Redox Calc
Pure-Rust excited-state SET thermodynamics: Rehm-Weller-style charge-separation driving force (Coulomb term omitted, v1 scope) plus excited-state oxidant/reductant potentials from ground-state E_ox/E_red and E_00.
RunnableAnalysis tool
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About this entry
Pure-Rust excited-state SET thermodynamics: Rehm-Weller-style charge-separation driving force (Coulomb term omitted, v1 scope) plus excited-state oxidant/reductant potentials from ground-state E_ox/E_red and E_00. Byte-identical to the independent Python oracle (containers/redox-oracle) at tolerance 0.0.
Use in DarwinOmics
How to use it
Use this tool to reproduce a concrete analysis step from supplied inputs, captured parameters, and versioned outputs, then compare the regenerated artifacts against the submitted result record.