Calculation of Potential Energy Concerning "H + Cl<sub>2</sub> → HCl + Cl" and Production of CG Movie for Learner to Acquire Its Image with Structures of Reactants and Reaction Profile
Abstract:Geometries and potential energies for reactants of "h-Cl-Cl" around the transition state in the reaction of h + Cl 2 → HCl + Cl were calculated. The reactant on the transition state was formed at incident angle of 180°. This reactant was supported by the method of the intrinsic reaction coordinate (IRC). We produced a movie, which displays CGs of potential energy surfaces in 2-D and 3-D for reactants on the way of the reaction. The reaction profile with potential energy and structures of the reactants are also… Show more
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