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
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 from:alexanderdenzel imported laszlos stuttgart szentpaly theochem theoretische] 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
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