Triple
T12951920
| Position | Surface form | Disambiguated ID | Type / Status |
|---|---|---|---|
| Subject | Woodward–Hoffmann rules |
E309911
|
entity |
| Predicate | relatedTo |
P37
|
FINISHED |
| Object |
Hückel molecular orbital theory
Hückel molecular orbital theory is a simple quantum mechanical method used to describe and predict the electronic structure, energies, and aromaticity of planar conjugated π-electron systems in organic molecules.
|
E1010197
|
NE FINISHED |
How this triple was built (4 steps)
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.
NER
Named-entity recognition
gpt-5-mini
Instruction
Given a phrase, classify it is english named entity (e.g., persons, organizations, works of art) in Latin script, or not (e.g., literals, dates, URLs, verbose phrases). For disambiguation, the statement where the phrase occurs as object is also given. Please return a JSON object with `phrase` (string, the phrase being analyzed) and `is_ne` (boolean, indicating whether the phrase is a Named Entity).
Input
Phrase: Hückel molecular orbital theory | Statement: [Woodward–Hoffmann rules, relatedTo, Hückel molecular orbital theory]
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: Hückel molecular orbital theory Context triple: [Woodward–Hoffmann rules, relatedTo, Hückel molecular orbital theory]
-
A.
Extended Hückel method
The Extended Hückel method is a semi-empirical quantum chemistry approach developed by Roald Hoffmann to approximate molecular electronic structure and bonding using simplified orbital interactions.
-
B.
Chemistry of Frontier Orbitals
"Chemistry of Frontier Orbitals" is a seminal work by Kenichi Fukui that develops and applies frontier molecular orbital theory to explain and predict the course of chemical reactions.
-
C.
Heitler–London theory of the chemical bond
The Heitler–London theory of the chemical bond is an early quantum mechanical model that explains covalent bonding by treating it as the result of electron exchange and spin pairing between atoms.
-
D.
Woodward–Hoffmann rules
The Woodward–Hoffmann rules are fundamental principles in organic chemistry that predict the stereochemistry and feasibility of pericyclic reactions based on orbital symmetry considerations.
-
E.
Herzberg–Teller approximation
The Herzberg–Teller approximation is a refinement in molecular spectroscopy that accounts for vibronic coupling by allowing electronic transition dipole moments to depend on nuclear coordinates, explaining intensity in otherwise forbidden transitions.
- F. None of above. chosen
- G. Unsure - the case is ambiguous/there is not enough information to decide.
NEDg
Description generation
gpt-5.1
Instruction
Generate a one-sentence description of the target entity. You are given a context triple in the form (subject, predicate, object), where the object is the target entity. # Instructions Use the triple to infer relevant information about the entity. Describe the entity based on what is most defining, well-known. Avoid repeating the information from the triple, unless really essential. # Response Format Return only the sentence: "Description: [one-sentence description of the target entity]"
Input
Entity: Hückel molecular orbital theory Triple: [Woodward–Hoffmann rules, relatedTo, Hückel molecular orbital theory]
Generated description
Hückel molecular orbital theory is a simple quantum mechanical method used to describe and predict the electronic structure, energies, and aromaticity of planar conjugated π-electron systems in organic molecules.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: Hückel molecular orbital theory Target entity description: Hückel molecular orbital theory is a simple quantum mechanical method used to describe and predict the electronic structure, energies, and aromaticity of planar conjugated π-electron systems in organic molecules.
-
A.
Extended Hückel method
The Extended Hückel method is a semi-empirical quantum chemistry approach developed by Roald Hoffmann to approximate molecular electronic structure and bonding using simplified orbital interactions.
-
B.
Chemistry of Frontier Orbitals
"Chemistry of Frontier Orbitals" is a seminal work by Kenichi Fukui that develops and applies frontier molecular orbital theory to explain and predict the course of chemical reactions.
-
C.
Heitler–London theory of the chemical bond
The Heitler–London theory of the chemical bond is an early quantum mechanical model that explains covalent bonding by treating it as the result of electron exchange and spin pairing between atoms.
-
D.
Woodward–Hoffmann rules
The Woodward–Hoffmann rules are fundamental principles in organic chemistry that predict the stereochemistry and feasibility of pericyclic reactions based on orbital symmetry considerations.
-
E.
Herzberg–Teller approximation
The Herzberg–Teller approximation is a refinement in molecular spectroscopy that accounts for vibronic coupling by allowing electronic transition dipole moments to depend on nuclear coordinates, explaining intensity in otherwise forbidden transitions.
- F. None of above. chosen
Provenance (5 batches)
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_69d7bdfb57a88190836b743e2825feca |
completed | April 9, 2026, 2:55 p.m. |
| NER | Named-entity recognition | batch_69d97e1edcdc8190a702c2a5ea58cc67 |
completed | April 10, 2026, 10:47 p.m. |
| NED1 | Entity disambiguation (via context triple) | batch_69f6af7a10f48190b7e0d32725f83fb6 |
completed | May 3, 2026, 2:14 a.m. |
| NEDg | Description generation | batch_69f6b02f194c8190921aee4cb016a6e2 |
completed | May 3, 2026, 2:17 a.m. |
| NED2 | Entity disambiguation (via description) | batch_69f6b0928ef48190ab4240abbccec5f2 |
completed | May 3, 2026, 2:18 a.m. |
Created at: April 9, 2026, 5:43 p.m.