Reductive elimination, Ion-pair isomer wb97xd separated G = -3337.962176 + -297.989129 = -3,635.951305, original Cu-I G = -3635.937740) G = -3635.951606 @T355P58 G = -3635.969717
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Gaussian 16 (C01) calculation
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2023-11-08

Gaussian 16 (C01) calculation