| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389734 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
The reactions of 4d transition metal ions (except Tc and Cd) with N2O on two potential energy surfaces, producing the metal oxide ion and N2, are studied by means of density functional theory. The potential energy curve crossings, which dramatically affect reaction mechanisms, are discussed in detail.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Xiao-Yan Yang, Yong-Cheng Wang, Zhi-Yuan Geng, Ze-Yu Liu,