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Frontier orbitals (Read 1951 times)
Gerrit-Jan Linker
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Frontier orbitals
16.07.09 at 08:02:38
Frontier orbitals
The filled or partly filled HOMO and completely or partly vacant LUMO of a molecular entity.  
Examination of the mixing of frontier molecular orbitals of reacting molecular entities affords an approach to the interpretation of reaction behaviour; this constitutes a simplified perturbation molecular orbital theory of chemical behaviour.
HOMO: Highest-energy Occupied Molecular Orbital
LUMO: Lowest-energy Unoccupied Molecular Orbital
SOMO: Singly Occupied Molecular Orbital
IUPAC Compendium of Chemical Terminology
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« Last Edit: 16.07.09 at 08:05:05 by Gerrit-Jan Linker »  

Gerrit-Jan Linker
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