Abstract
The ionization energies of 28 pyridine derivatives are calculated with the OVGF technique in the semiempirical AM1 approximation. This method was shown to give the pyridine derivatives' ionization energies at their experimental-error level (ca. 0.1 eV). The proposed OVGF AM1 method is considered to be a rather simple but efficient technique for routine interpretation of photoelectron spectra, at least as far as five- and six-membered heterocycles are concerned.
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