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Spin-Resolved Nonlocal Second-Order Fukui Index for Open-Shell Systems from Delocalization Index Response

Samir Kenouche1

  • 1Group of Modeling of Chemical Systems Using Quantum Calculations, Applied Chemistry Laboratory (LCA), University M. Khider of Biskra, Biskra 07000, Algeria.

The Journal of Physical Chemistry. A
|June 24, 2026
PubMed
Summary

This study introduces spin-resolved Second-Order Fukui Indices (SOFI) for open-shell molecules. These indices map spin-dependent electron sharing, aiding in understanding radical reactivity and substituent effects.

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