Journal of Molecular Structure: THEOCHEM
eis.hu.edu.jo › deanshipfiles › pub106661738Transition state refers to the molecular structure at the maxi-mum of the potential energy connecting two minima of reactants and products. It is described mathematically as a first order saddle point, being a maximum in one direction and a minimum in the others. Recently, Soldán et al. [3,6] tried to find the saddle point for M+–CO 2 by freezing CO