Cargando…
Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods
[Image: see text] The description of low-lying ππ* states of linear acenes by standard electronic structure methods is known to be challenging. Here, we broaden the framework of this problem by considering a set of fused heteroaromatic rings and demonstrate that standard electronic structure methods...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2016
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5119472/ https://www.ncbi.nlm.nih.gov/pubmed/27144975 http://dx.doi.org/10.1021/acs.jctc.6b00245 |