Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383200 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠Advantage of reactive force field method: large system and complex reaction. ⺠Dynamical results: dissociative probability is increased by the defects. ⺠Dynamical mechanism: dynamical trapping and bond counting mechanism.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
X. Huang, X.H. Yan, Y. Xiao,