Publications

László von Szentpály. Eliminating symmetry problems in electronegativity equalization and correcting self-interaction errors in conceptual DFT. Journal of Computational Chemistry, (39)24:1949-1969, 2018. [PUMA: conceptual valence-state electronegativity, theory, valence-pair-equilibration, bond chemie charges chemical errors, equalization, partial valence-pair-affinity, rules, DFT, laszlos Ruedenberg theoretische stuttgart atoms szentpaly self-interaction symmetry electronegativity from:alexanderdenzel Wigner-Witmer of potential theochem] URL

László von Szentpály. Multiply Charged Anions, Maximum Charge Acceptance, and Higher Electron Affinities of Molecules, Superatoms, and Clusters. Acta Physico-Chimica Sinica, (34)6:675, Acta Phys. -Chim. Sin., 2018. [PUMA: theory;Valence-state charged density-functional ;Multiply laszlos Their theoretische stuttgart parabola sizes;Second affinity;Conceptual szentpaly chemie negative appearance electronegativity from:alexanderdenzel of electron ions, model theochem affinity;Third] URL

László von Szentpály. Comment on “A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity” by S. Kaya and C. Kaya Comput. Theoret. Chem. 1052 (2015) 42–46. Computational and Theoretical Chemistry, (1083):72 - 74, 2016. [PUMA: Group electronegativity, laszlos Electronegativity Wigner–Witmer theoretische stuttgart affinity, szentpaly DFT chemie symmetry from:alexanderdenzel Valence-pair principles equalization, Conceptual theochem rules,] URL