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Updated: Feb 4, 2026

NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
Published on: June 4, 2021
Note: Maximum hardness and minimum electrophilicity principles
Ramón Alain Miranda-Quintana1, Paul W Ayers1
1Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4L8, Canada.
Abstract:
We provide new arguments supporting the validity of the maximum hardness and the minimum electrophilicity principles, considering the overall change of these descriptors in a charge-transfer reaction. We analyze two cases: (a) how the reactivity is affected when we perturb one reagent, keeping the other constant; (b) how the hardness and electrophilicity change when we treat the interaction between the reagents as a perturbation.
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