Carregant...
Electronic structures and spectra of conducting anthracene derivatives
Theoretical studies on anthracene and a series of its derivatives were performed using the AM1 method and DFT. Based on B3LYP/6-31G(d) optimized geometries, the electronic, IR and NMR spectra of anthracene oligomers were calculated using the Indo/Cis, AM1 and B3LYP/6-31G(d) methods, respectively. Th...
Guardat en:
| Autors principals: | , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Serbian Chemical Society
2008-12-01
|
| Col·lecció: | Journal of the Serbian Chemical Society |
| Matèries: | |
| Accés en línia: | http://www.shd.org.rs/JSCS/Vol73/No12/JSCS-3798.pdf |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|