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Reactivity of Ambident Nucleophiles in Magnetic Fields: a Combined Conceptual DFT and Current-DFT Study

Huynh, Bang C. et al.
arXiv (All) · Papers
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chemical-physics
The influence of strong external magnetic fields (up to $0.30\,B_0$) on the electronic structure and reactivity of ambident nucleophiles is investigated using the nitrite and thiocyanate anions as prototypical examples. To capture magnetic-field-induced changes in reactivity, current-density-functio
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