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...

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Detalles Bibliográficos
Autores principales: García-Iriepa, Cristina, Marazzi, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5615680/
https://www.ncbi.nlm.nih.gov/pubmed/28869516
http://dx.doi.org/10.3390/ma10091025

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