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.