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Does Aromaticity Drive Metal Cation Binding to Nanographenes? Insights Into Regioselectivity and Cation‐π$$ \pi $$ Bonding

open access: yesJournal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
Aromaticity of a ring by itself does not explain the binding energies of alkali and alkaline earth metal cations with nanographenes, but when combined with the Fukui function, it does. ABSTRACT Nanographenes, a subclass of polycyclic aromatic hydrocarbons (PAHs), have attracted significant interest due to their unique electronic properties and broad ...
Omkar Charapale   +3 more
wiley   +1 more source

A universal framework for the quantum simulation of Yang-Mills theory. [PDF]

open access: yesCommun Phys
Halimeh JC   +5 more
europepmc   +1 more source

MCMC Correction of Score-Based Diffusion Models for Model Composition. [PDF]

open access: yesEntropy (Basel)
Sjöberg A   +4 more
europepmc   +1 more source

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