| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394970 | Computational and Theoretical Chemistry | 2011 | 5 Pages |
Abstract
⺠The geometric structures and thermal stabilities of C24O12 isomers with closed- or open-pattern have been investigated. ⺠The kinetic stability and chemical reactivity have been studied on analyzing LUMO-HOMO energy gaps. ⺠The vertical ionization potential and vertical electron affinity of various isomers were computed. ⺠The vibrational properties and IR spectrum have been analyzed and simulated.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zhen Wang, Jing Zhang,