Hückel method

GPTKB entity

Statements (23)
Predicate Object
gptkbp:instanceOf quantum chemistry method
gptkbp:alternativeName gptkb:Hückel_molecular_orbital_method
gptkbp:appliesTo conjugated hydrocarbons
gptkbp:assumes planar molecules
π-electron approximation
gptkbp:basisFor linear combination of atomic orbitals
gptkbp:computes energy levels
electron densities
gptkbp:field quantum chemistry
theoretical chemistry
https://www.w3.org/2000/01/rdf-schema#label Hückel method
gptkbp:ignores σ-bonding electrons
gptkbp:introducedIn 1931
gptkbp:namedAfter gptkb:Erich_Hückel
gptkbp:reduces gptkb:Schrödinger_equation
gptkbp:relatedTo molecular orbital theory
tight binding model
gptkbp:usedFor calculating molecular orbitals
predicting aromaticity
gptkbp:usedIn organic chemistry
physical chemistry
gptkbp:bfsParent gptkb:Erich_Hückel
gptkbp:bfsLayer 5