Cargando…
Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2
Donor–acceptor Stenhouse adducts (DASAs) are a very recent class of organic photoswitches that combine excellent properties, such as color and polarity change, a large structural modification, and excellent fatigue resistance. Despite their potential applications in different fields, very few studie...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2017
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5615680/ https://www.ncbi.nlm.nih.gov/pubmed/28869516 http://dx.doi.org/10.3390/ma10091025 |