UCM-T chem / VSEPR sphere: major-revision reproducibility package
Versioned reproducibility package accompanying the major revision of “A Minimal Sphere Optimization Model for Selected VSEPR Molecular Geometries.” The archive preserves the frozen v1 solver and representative historical JSON outputs and adds the revised manuscript, figure-source data, an independent N=8 square-antiprism benchmark, N=5/N=7 basin-recovery evidence, permutation-invariant unlabeled-geometry comparisons, and exact B/L assignment enumeration on fixed optimized geometries. No new interaction law or optimizer is introduced. The package explicitly separates historical v1 provenance from revision validation. Stage A tests endpoint recurrence; Stage B compares unlabeled scaffolds; Stage C enumerates B/L assignments on fixed optimized geometries and is not a global reoptimization. The N=8 symmetry-restricted family is optimized independently of the historical unconstrained solver. All model quantities are dimensionless unless angles are stated in degrees. GitHub release: https://github.com/Vladimir-UCMT/UCM-T-chem-VSEPR-sphere/releases/tag/v2.0.0Archive SHA-256: c017217c9803780442e53c1a06b2fcf8b06ca8dae5fa8596886dbfe60b77f17f
Authors
- Vladimir V. Yakovlev
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2026-09-10
- DOI
- https://doi.org/10.5281/zenodo.18924860
- Primary Topic
- Advanced Physical and Chemical Molecular Interactions
- Type
- preprint