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Stability of non-zero spin projection states for disordered carbon clusters of low symmetry were examined using semiempirical and ab initio methods. The study proves previous results of V.D. Khavryuchenko, Y.A. Tarasenko, V.V. Strelko, O.V. Khavryuchenko, V.V. Lisnyak, Int. J. Mod. Phys. B 21 (2007) 4507, obtained for the large polyaromatic hydrocarbons clusters and shows that the phenomenon is intrinsic...
Quantum chemical study of 31 isomers of N-doped polyaromatic hydrocarbons in high multiplicity states has demonstrated that electrons in such systems tend to be unpaired. The HOMO/LUMO gaps of the N-PAH clusters with different content and structural positions of N atoms form a broad band between 4.8 and 7.3eV with no specific features. The stability of high multiplicity states might be the origin...
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