Chemistry of Frontier Orbitals
E873259
"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.
All labels observed (1)
| Label | Occurrences |
|---|---|
| Chemistry of Frontier Orbitals canonical | 1 |
How this entity was disambiguated
This entity first appeared as the object of triple T10570275 — resolving that mention is where its identity was fixed. The disambiguator weighed these candidate entities and picked the highlighted one (or “None”, minting a new entity). This is how homonymy is resolved: the same surface form can point to different entities.
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: Chemistry of Frontier Orbitals Context triple: [Fukui Kenichi, hasWork, Chemistry of Frontier Orbitals]
-
A.
Electronic Structures of Molecules
Electronic Structures of Molecules is a foundational scientific work by Robert S. Mulliken that systematically develops molecular orbital theory and its application to understanding the electronic properties and bonding of molecules.
-
B.
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.
-
C.
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.
-
D.
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.
-
E.
Valence and the Structure of Atoms and Molecules
"Valence and the Structure of Atoms and Molecules" is a foundational chemistry book by Gilbert N. Lewis that systematically presents his theories of chemical bonding and the electronic structure of atoms and molecules.
- F. None of above. chosen
- G. Unsure - the case is ambiguous/there is not enough information to decide.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: Chemistry of Frontier Orbitals Target entity description: "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.
-
A.
Electronic Structures of Molecules
Electronic Structures of Molecules is a foundational scientific work by Robert S. Mulliken that systematically develops molecular orbital theory and its application to understanding the electronic properties and bonding of molecules.
-
B.
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.
-
C.
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.
-
D.
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.
-
E.
Valence and the Structure of Atoms and Molecules
"Valence and the Structure of Atoms and Molecules" is a foundational chemistry book by Gilbert N. Lewis that systematically presents his theories of chemical bonding and the electronic structure of atoms and molecules.
- F. None of above. chosen
Statements (40)
| Predicate | Object |
|---|---|
| instanceOf |
book
ⓘ
scientific monograph ⓘ |
| appliesTheory |
frontier molecular orbital theory
ⓘ
molecular orbital theory ⓘ |
| author | Kenichi Fukui NERFINISHED ⓘ |
| countryOfOrigin | Japan ⓘ |
| describes |
HOMO
ⓘ
LUMO ⓘ electrophilic reactions ⓘ frontier orbitals ⓘ nucleophilic reactions ⓘ orbital symmetry control of reactions ⓘ pericyclic reactions ⓘ |
| fieldOfStudy |
chemistry
ⓘ
physical organic chemistry ⓘ quantum chemistry ⓘ |
| genre | scientific literature ⓘ |
| hasKeyConcept |
control of chemical reactivity by frontier orbitals
ⓘ
interaction between HOMO and LUMO ⓘ orbital symmetry considerations ⓘ prediction of reaction pathways ⓘ stereoselectivity explained by MO interactions ⓘ |
| influenced |
computational chemistry approaches to reactivity
ⓘ
modern organic chemistry textbooks ⓘ reaction mechanism analysis ⓘ |
| influencedBy |
Hückel molecular orbital theory
NERFINISHED
ⓘ
quantum mechanics ⓘ |
| intendedAudience |
chemists
ⓘ
graduate students in chemistry ⓘ researchers in theoretical chemistry ⓘ |
| language |
English
ⓘ
Japanese ⓘ |
| mainSubject |
frontier molecular orbital theory
ⓘ
organic reaction mechanisms ⓘ theoretical chemistry ⓘ |
| notableFor |
influencing the acceptance of MO theory in organic chemistry
ⓘ
predictive treatment of organic reactions ⓘ systematic development of frontier orbital theory ⓘ |
| originalLanguage | Japanese ⓘ |
| relatedTo | Nobel Prize in Chemistry 1981 NERFINISHED ⓘ |
How these facts were elicited
The pipeline generated the facts above by prompting gpt-5.1 with this entity's name + description and the instruction below.
Instruction
You are a knowledge base construction expert. Given a subject entity and a description of it, return factual statements that you know for the subject as a JSON list of dictionaries(triples), where keys must be "subject", "predicate" and "object". The number of facts may be very high, between 25 to 50 or more, for very popular subjects. For less popular subjects, the number of facts can be very low, like 5 or 10. # Requirements - If you don't know the subject at all, return an empty list. - If the subject is not a named entity, return an empty list. - Include at least one triple where predicate is "instanceOf". - Do not get too wordy. - Separate several objects into multiple triples with one object.
Input
Subject: Chemistry of Frontier Orbitals Description of subject: "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.
Referenced by (1)
Full triples — surface form annotated when it differs from this entity's canonical label.