Study of the Deformation/Interaction Model: How Interactions Increase the Reaction Barrier

<div>Analysis of the electrostatic (a), exchange (b), overlap (c), and kinetic energy (d). BD + ET (black square), BD + AM (cyan star), BD + MA (red diamond), BD + AME (blue triangle). C<sub>1</sub>-C<sub>6</sub> (…), C<sub>4</sub>-C<sub>5</sub> (—). (1) B3LYP; (2) <i>ω</i>B97X-D.</div>

Journal of Chemistry

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Figure 6

Figure 6: Study of the Deformation/Interaction Model: How Interactions Increase the Reaction Barrier 