Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”. Angewandte Chemie International Edition, (58):2-6, 2019. [PUMA: chemie werner from:alexanderdenzel stoll theoretische stuttgart theochem szentpaly] URL
Symmetry Laws Improve Electronegativity Equalization by Orders of Magnitude and Call for a Paradigm Shift in Conceptual Density Functional Theory. The Journal of Physical Chemistry A, (119)9:1715-1722, 2015. [PUMA: chemie imported from:alexanderdenzel laszlos theoretische stuttgart theochem szentpaly] URL
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
Hardness maximization or equalization? New insights and quantitative relations between hardness increase and bond dissociation energy. Journal of Molecular Modeling, (23)7:217, Jul 1, 2017. [PUMA: chemie imported from:alexanderdenzel laszlos theoretische stuttgart theochem szentpaly] URL
Physical Basis and Limitations of Equalization Rules and Principles: Valence-State Electronegativity and Valence-Pair-Affinity versus Operational Chemical Potential. Quantum Matter, (4)1:47-55, 2015. [PUMA: chemie imported from:alexanderdenzel laszlos theoretische stuttgart theochem szentpaly] URL
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 szentpaly affinity;Conceptual chemie negative appearance electronegativity from:alexanderdenzel of electron ions, model theochem affinity;Third] URL
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 laszlos electronegativity, Electronegativity Wigner–Witmer theoretische stuttgart affinity, szentpaly chemie DFT symmetry from:alexanderdenzel Valence-pair principles equalization, Conceptual theochem rules,] URL
Theorems and rules connecting bond energy and bond order with electronegativity equalization and hardness maximization. Theoretical Chemistry Accounts, (139)3:54, 2020. [PUMA: chemie from:alexanderdenzel theoretische stuttgart theochem szentpaly] URL
Eliminating symmetry problems in electronegativity equalization and correcting self‐interaction errors in conceptual DFT. 2018. [PUMA: chemie from:alexanderdenzel laszlos theoretische stuttgart theochem szentpaly] URL