Their energies may be modeled using Marcus theory, and methods for their computation search the PES using techniques like "nudged elastic band" or the "dimer method," trying to find saddle points on the potential.
Their energies may be modeled using Marcus theory, and methods for their computation search the PES using techniques like "nudged elastic band" or the "dimer method," trying to find saddle points on the potential. They resemble the higher-enthalpy species according to the Hammond postulate. FTP, identify these local maxima on reaction coordinate diagrams, whose energy is lowered by the action of catalysts, the point in a chemical reaction where all reacting bonds are half-formed.
Their energies may be modeled using Marcus theory, and methods for their computation search the PES using techniques like "nudged elastic band" or the "dimer method," trying to find saddle points on the potential.
{transition state}