AI4OrgChem v0.3.2 — Fourteen-Proposition Determinate Evidence Release

AI4OrgChem v0.3.2 — Fourteen-Proposition Determinate Evidence Release

English

v0.3.2 is a scientific-evidence release recording the current P01–P14
classification as fourteen consistent propositions. The proposition-level classification
is 14 consistent, 0 partially consistent, 0 globally inconsistent, and 0
unknown.

P12 evidence scope

• fully planar B3LYPG/6-311G(2df,p) geometry and energy for all states;
• N12 / [12]-555: CESE +2.887010 kcal/mol;
• N14 / [14]-665: CESE -15.947079 kcal/mol;
• N16 / [16]-5555: CESE -0.339527 kcal/mol, relative CESE 2.103137%;
• all 28 N16 GE pairs calculated directly, with no symmetry weighting;
• all registered direction checks pass; no same-estimand opposing result is
  established.

The formal verdict is P12_CONSISTENT: P12 is consistent with the
monograph. N12, N14, and N16 define the released evidence scope; they do not
qualify the verdict.

Integrity and history

• The immutable v0.3.1 package is not rewritten.
• Its P12 machine result is retained as an explicitly historical artifact.
• Evidence identity, numerical differences, tested systems, and limitations
  remain separate from the proposition-level verdict.
• This release does not claim digit-for-digit reproduction, historical-program
  identity, a universal annulene-size law, or peer review.

中文

v0.3.2记录P01–P14当前十四项均与原著相应命题一致。当前命题级统计为：
一致14项、部分一致0项、整体不一致0项、未知0项。

P12证据范围

• 所有状态采用全平面B3LYPG/6-311G(2df,p)几何优化与同基组能量；
• N12 / [12]-555：CESE +2.887010 kcal/mol；
• N14 / [14]-665：CESE -15.947079 kcal/mol；
• N16 / [16]-5555：CESE -0.339527 kcal/mol，相对CESE 2.103137%；
• N16全部28个GE双键对直接计算，不使用对称加权；
• 全部注册方向判据通过，没有建立同估计量反证。

正式判定为P12_CONSISTENT：P12与原著一致。 N12、N14、N16界定
公开证据范围，不构成对“一致”判定的条件限定。

完整性与历史

• 不回写不可变v0.3.1发布包；
• 其P12机器结果作为明确标注的历史文件继续保留；
• 证据身份、数值差异、受测体系和局限与命题级判定分列；
• 不声明逐数字精确复现、历史程序身份、普遍轮烯尺寸定律或同行评审认证。