| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386270 | Chemical Physics Letters | 2009 | 4 Pages |
Abstract
All electron relativistic DFT calculations, including spin-orbit were done for the C3hâaurophilic Gold(I) triangulo core cluster, [Au3(CH3NCOCH3)3], to describe their electronic structure, molecular properties and electronic currents, both inside and outside of the [Au(I)]3 core.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3NCOCH3)3] cluster](/preview/png/5386270.png "First Page Preview: Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3NCOCH3)3] cluster")
Authors
A. Muñoz-Castro, D. Mac-Leod Carey, R. Arratia-Pérez,