A COMPLEMENTARY VIEW TO THE BONDING PATTERN IN THE N5+ CATION: AN ELECTRON LOCALIZATION FUNCTION AND LOCAL TEMPERATURE ANALYSIS
The electron localization function (ELF), a local measure of the Pauli repulsion effect, and the local Kohn-Sham temperature analysis, which is defined within the framework of a local thermodynamics description of density functional theory, have been used to explore the bonding characteristics in th...
Guardado en:
| Autor principal: | |
|---|---|
| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2003
|
| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000400010 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Sea el primero en dejar un comentario!