2000 Volume 6 Issue 2 Pages 45-54
In the reaction of hydration of carbon dioxide, a carbon dioxide molecule reacts favorably with the water-dimer (2) than the water-monomer (1). The results of semi-empirical calculation using MOPAC agree with the results of the ab initio calculation reported previously (Fig. 6). The present reaction system is visualized by the computer-graphics animation based on the results of the MOPAC calculation.