Reactivity and Charge Transfer Beyond the Parabolic Model: the “|Δμ| Big is Good” Principle
Ramón Alain Miranda‐Quintana, Paul W. Ayers, Farnaz Heidar‐Zadeh
Abstract
Abstract We discuss an extension of the venerable Parr‐Pearson parabolic charge transfer model that explicitly includes 3 rd order effects. We then use this new model to provide new arguments supporting the validity of Parr and Yang's “|Δμ| big is good” (DMB) principle. Additionally, we show how to re‐derive this principle from the Parr‐Pearson parabolic model, using simpler arguments than those presented in our previous proof of the DMB rule.
Topics & Concepts
Charge (physics)Reactivity (psychology)Extension (predicate logic)Transfer (computing)Order (exchange)MathematicsCalculus (dental)Theoretical physicsStatistical physicsPhysicsComputer scienceQuantum mechanicsProgramming languageFinanceAlternative medicineMedicineParallel computingPathologyDentistryEconomicsSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesFree Radicals and Antioxidants