Quantum mechanical/molecular mechanical self-consistent Madelung potential method for treatment of polar molecular crystals. - György G. Ferenczy; Gábor I. Csonka; Gábor Náray-Szabó; János G. Ángyán (J. Comput. Chem., 1998)

Conservative Electrostatic Potential Patterns at Enzyme Active Sites: The Anion-Cation-Anion Triad. - Timea Gérczei; Bence Asbóth; Gábor Náray-Szabó (J. Chem. Inf. Comput. Sci., 1999)

Chemical Fragmentation in Quantum Mechanical Methods. - Gábor Náray-Szabó (Comput. Chem., 2000)

A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point charges. - Imre Berente; Eszter Czinki; Gábor Náray-Szabó (J. Comput. Chem., 2007)