Article ID Journal Published Year Pages File Type
5394765 Computational and Theoretical Chemistry 2012 4 Pages PDF
Abstract
► Four conformers of 2-allylphenol were studied. ► The ionization energies of 2-allylphenol were calculated. ► We reassigned the weak experimental ionization band at 9.72 eV is from the next stable conformer IIb. ► The differences of the πCC orbital ionization energies of conformers were explained.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Assignment of photoelectron spectra of the 2-allylphenol with the help of electron propagator theory
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