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The borate B2O3 glass system contains n-rings with n boron and n oxygen atoms. The structure of n-B2O3 molecules with n=2-5 with inequivalent topologies was constructed in a systematic way. The stability of molecules was studied by Density Functional Theory. We obtained 15 stable molecules and investigated their B-B distances. Four unstable molecules were studied and was shown that they do not retain their topological structure after minimization of energy.

Keywords: glass, quantum-chemical simulation, regular graph