Abstract
A semi-quantitative method is presented for predicting the transition structure bond length and the kinetic energy released as a diatomic dication dissociates into monocation fragments. Our approach, which we term the ACDCP model, involves the introduction of diabatic coupling and polarization effects to an avoided-crossing model previously described. Good agreement is found between the predictions of the new ACDCP model, the results of accurate ab initio calculations and experimental results.
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