Eilatin: Semiempirical MO Calculations of Molecular Structures and Electronic Spectra of the Unprotonated and N-Protonated Molecules

Abstract

The molecular structures and electronic spectra of eilatin and protonated eilatin molecules have been investigated in terms of AM1 and CNDO/S methods, the calculated electronic spectra of free and monoprotonated eilatin molecules being in good agreement with the electronic spectra of eilatin observed in non-acidic and acidic media.