| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381861 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
- We investigate HCl elimination reactions from HAunCl model clusters (n = 1-6).
- The calculation results by DFT are compared with those by BD(T).
- The activation energies have odd-even oscillations.
- Cl removal from Au clusters by H should be successful for smaller Au clusters.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kohei Tada, Kohei Sakata, Yasutaka Kitagawa, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura,