| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381263 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
- A new measure of site reactivity based purely on the electronic structure in an exploratory study.
- New site reactivity by summing the number of RCPs on the inter-atomic surface of the dopant nucleus.
- A higher degree of peripheral character than can be described by the atomic coordination number.
- A higher resolution measure of dopant nuclei site reactivity than the atomic coordination number.
- A weaker condition than bonding for the association of the dopant nucleus in a molecule is found.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tianlv Xu, Samantha Jenkins, Chen-Xia Xiao, Julio R. Maza, Steven R. Kirk,