| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384674 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Stationary points of paths for demethanation of CH3OH on Nin+ (n = 3,4) found. ⺠All transition states are energetically below the reactant asymptote on Ni4+. ⺠All transition states lie above the asymptote on Ni3+. ⺠The results indicate that demethanation occurs preferentially on Ni4+.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Juan A. Santana, Juan M. López-Encarnación, Yasuyuki Ishikawa,