Triple
T4763388
| Position | Surface form | Disambiguated ID | Type / Status |
|---|---|---|---|
| Subject | Martin Karplus |
E105750
|
entity |
| Predicate | hasWork |
P6260
|
FINISHED |
| Object |
Karplus equation for NMR coupling constants
The Karplus equation for NMR coupling constants is an empirical relationship that links three-bond scalar coupling values between nuclei to the dihedral angle between them, enabling the determination of molecular conformations from NMR data.
|
E467020
|
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: Karplus equation for NMR coupling constants | Statement: [Martin Karplus, hasWork, Karplus equation for NMR coupling constants]
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: Karplus equation for NMR coupling constants Context triple: [Martin Karplus, hasWork, Karplus equation for NMR coupling constants]
-
A.
Longuet-Higgins theorem in molecular symmetry
The Longuet-Higgins theorem in molecular symmetry is a fundamental result in theoretical chemistry that relates molecular symmetry properties to electronic state degeneracies and the occurrence of phenomena such as the Jahn–Teller effect.
-
B.
The Nuclear Spin of the Hydrogen Molecule in the Liquid and Solid States
"The Nuclear Spin of the Hydrogen Molecule in the Liquid and Solid States" is Carl Woese’s physics doctoral thesis, which investigates how the quantum spin properties of hydrogen molecules behave and interact in condensed phases.
-
C.
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.
-
D.
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.
-
E.
The Nature of the Chemical Bond
The Nature of the Chemical Bond is a landmark chemistry book by Linus Pauling that systematically explains chemical bonding using quantum mechanics and became one of the most influential scientific texts of the 20th century.
- 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: Karplus equation for NMR coupling constants Triple: [Martin Karplus, hasWork, Karplus equation for NMR coupling constants]
Generated description
The Karplus equation for NMR coupling constants is an empirical relationship that links three-bond scalar coupling values between nuclei to the dihedral angle between them, enabling the determination of molecular conformations from NMR data.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: Karplus equation for NMR coupling constants Target entity description: The Karplus equation for NMR coupling constants is an empirical relationship that links three-bond scalar coupling values between nuclei to the dihedral angle between them, enabling the determination of molecular conformations from NMR data.
-
A.
Longuet-Higgins theorem in molecular symmetry
The Longuet-Higgins theorem in molecular symmetry is a fundamental result in theoretical chemistry that relates molecular symmetry properties to electronic state degeneracies and the occurrence of phenomena such as the Jahn–Teller effect.
-
B.
The Nuclear Spin of the Hydrogen Molecule in the Liquid and Solid States
"The Nuclear Spin of the Hydrogen Molecule in the Liquid and Solid States" is Carl Woese’s physics doctoral thesis, which investigates how the quantum spin properties of hydrogen molecules behave and interact in condensed phases.
-
C.
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.
-
D.
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.
-
E.
The Nature of the Chemical Bond
The Nature of the Chemical Bond is a landmark chemistry book by Linus Pauling that systematically explains chemical bonding using quantum mechanics and became one of the most influential scientific texts of the 20th century.
- 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_69bd43f14cac819081c7c69803648211 |
completed | March 20, 2026, 12:56 p.m. |
| NER | Named-entity recognition | batch_69bd6530f0648190b76db9964471cfeb |
completed | March 20, 2026, 3:18 p.m. |
| NED1 | Entity disambiguation (via context triple) | batch_69be3a81c9dc8190b9e7f399ac1de268 |
completed | March 21, 2026, 6:28 a.m. |
| NEDg | Description generation | batch_69be3b4791008190ba3f3f6e7698146f |
completed | March 21, 2026, 6:31 a.m. |
| NED2 | Entity disambiguation (via description) | batch_69be3bbe432081909bf134e1be799b58 |
completed | March 21, 2026, 6:33 a.m. |
Created at: March 20, 2026, 1:20 p.m.