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DFT calculations modelled at -46 C of iodine(III) complex formation, showing IFCl is the most reactive. Level of theory: M06-2X/6-31 + G(d)/LANL2DZ(I) + SMD(CH 2 Cl 2 )//M06-2X/def2-TZVP + SMD(CH 2 Cl 2 ).
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