AM1 studies on the potential energy surf
โ
Jae Young Choi; Ernest R. Davidson; Ikchoon Lee
๐
Article
๐
1989
๐
John Wiley and Sons
๐
English
โ 789 KB
The potential energy surfaces for the proton transfer processes in H+(H20), with n = 2 -11 have been studied using the semiempirical AM^ method. Two model systems were adopted branched and linear systems. The branched system showed a tendency to form a bulk cluster, while the linear system showed a