Triple
T35021108
| Position | Surface form | Disambiguated ID | Type / Status |
|---|---|---|---|
| Subject | Hückel molecular orbital theory |
E1010197
|
entity |
| Predicate | instanceOf |
P0
|
FINISHED |
| Object | semi-empirical method |
C1009
|
CONCEPT FINISHED |
How this triple was built (1 step)
Every LLM step that produced this triple, in pipeline order — named-entity classification, the disambiguation choices (the exact options shown, with the pick highlighted), and the generated description. The batch + timestamp of each is in the Provenance table below.
CD
Concept disambiguation
gpt-5-mini-2025-08-07
Target class: semi-empirical method Context triple: [Hückel molecular orbital theory, instanceOf, semi-empirical method]
-
A.
molecular quantum mechanics method
chosen
A molecular quantum mechanics method is a theoretical and computational approach that applies quantum mechanical principles to describe and predict the electronic structure, properties, and behavior of molecules.
-
B.
perturbative method in quantum mechanics
A perturbative method in quantum mechanics is an approximate technique for solving complex quantum systems by expanding physical quantities in a power series around a solvable reference problem, treating the difference as a small correction.
-
C.
nonperturbative method
A nonperturbative method is a theoretical or computational approach that captures the full behavior of a system without relying on expansions in a small parameter, allowing it to describe strong-coupling or highly nonlinear regimes where perturbation theory fails.
-
D.
conformational analysis method
A conformational analysis method is a systematic approach used to identify, compare, and evaluate the different spatial arrangements (conformations) of a molecule and their relative stabilities.
-
E.
spectroscopic approximation
A spectroscopic approximation is a simplified theoretical or computational model used to estimate spectroscopic properties (such as energy levels, transition frequencies, or intensities) by neglecting or approximating certain physical effects to make calculations tractable.
- F. None of above.
Provenance (1 batch)
The batch behind each pipeline step, in order, with when it ran. Timestamps are batch-level — stages were processed in waves, so the object chain (NER → NED1 → NEDg → NED2) reads in order, but predicate / elicitation batches can sit in a different wave.
| Step | Stage | Batch ID | Status | When |
|---|---|---|---|---|
| creating | Elicitation | batch_69f76dcc3ac8819096a3ed52f5fa2523 |
completed | May 3, 2026, 3:46 p.m. |
Created at: May 3, 2026, 4:01 p.m.