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molecular orbital

   Also found in: Acronyms, Wikipedia 0.01 sec.
molecular orbital [mə′lek·yə·lər ′ȯr·bəd·əl]
(physical chemistry)
A wave function describing an electron in a molecule.


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9781420078480 The fragment molecular orbital method; practical applications to large molecular systems.
A low density of defect states within the highest occupied molecular orbital to lowest unoccupied molecular orbital (HOMO-LUMO) gap of poly(3-hexylthiophene) (P3HT) has been observed [2, 3].
Another widely applied model, called the molecular orbital (MO) theory, eases those computations, but only by including hard-to-visualize concepts such as bonding electronic orbitals that aren't confined between bonded atoms.
 
 
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