Ab initio study of ice catalyzation of H
โ
Yu-Fang Zhou; Cheng-Bu Liu
๐
Article
๐
2000
๐
John Wiley and Sons
๐
English
โ 127 KB
๐ 2 views
Experiments proved that the reaction of HOCl + HCl was very slow in the gas phase, but on ice surface it was rapid. In this work the ice catalysis of HOCl + HCl reaction was investigated by using ab initio molecular orbital theory. We applied the Hartree-Fock self-consistent field and the second-ord