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backside vs. frontside SN2 reactions - intrinsic bond orbitals
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As requested by many the intrinsic bond orbitals (IBOs) during the calculated intrinsic reaction coordinate for a backside and frontside SN2 reaction between methyl bromide and chloride. IRC calculated at B3LYP/6-311+G(d,p), IBOs at PBE/def2-TZVP.
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backside vs. frontside SN2 reactions - intrinsic bond orbitals
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backside vs. frontside SN2 reactions - intrinsic reaction coordinates
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