Rh 1,4-conjugate addition

This is a developmental SDK demonstration, not a mature publication validation target.

Source and membership

The authoritative source is Wahlers, Ph.D. Dissertation, University of Notre Dame, 2021, Chapter 6, 10.7274/k930bv76q4n (Zotero AAZ6I5V3). There is no unrelated 2022 publication claim.

• Membership: eight bisphosphine cases followed in the source workflow by two diene cases; the compatibility row preserves all ten in its frozen order.
• Composition: five OPT-only blocks over a caller-supplied MM3 base.
• Source disposition: initial/developmental and missing training chemistry.

Current claim

Row	Status	Substantiation
Ten-case repository-geometry-eigenmatrix-v1 path	sdk_software_path_demonstration	Chapter 6 developmental evidence

The example proves loading, composition, preparation, active/frozen identity, evaluation, optimizer entry, and persistence. It does not claim mature TSFF validation or exact source-objective reproduction.

Run

python examples/publication/rh-conjugate/run.py \
  --supporting-info /path/to/publication-data \
  --mm3-base /path/to/mm3_base.fld \
  --output-root /path/to/output \
  --bounded-ci