Author/Authors :
Liu، نويسنده , , Z.F and Siu، نويسنده , , C.K and Tse، نويسنده , , John S، نويسنده ,
Abstract :
Ab initio molecular dynamics simulations are performed for the reaction between HCl and HOCl on an ice surface. The interaction between the two chlorine atoms, and the role played by the acidic dissociation of HCl, are elucidated. The catalytic effect of the ice surface is reproduced and explained.
