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. Author manuscript; available in PMC: 2010 Jan 1.
Published in final edited form as: J Chem Theory Comput. 2009 Jan 1;5(1):1–22. doi: 10.1021/ct800318h

FIG. 7.

FIG. 7

Fourfold way (MC-QDTP(4)//M06-2X) adiabatic and diabatic energies along the reaction coordinate. The zero of energy is chosen as the ground-state adiabatic energy of the ion-molecule reactant complex.