A kinetic perspective of charge transfer reactions: the downfall of hard/soft acid/base interactions

2023/02/09 by Ramon Alain Miranda Quintana, Quintana, Ramon Alain Miranda
Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Protein Structure and Dynamics #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.2302.04935

openalex publication_date 2023/02/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We show how to incorporate the possibility of kinetic control in the conceptual Density Functional Theory formalism. This allow us to prove that the hard/soft acid/base principle will likely fail when the reactions are not thermodynamically-driven.

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