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Theoretical Modelling of Photoswitching of Hyperpolarisabilities in Ruthenium Complexes
Static excited-state polarisabilities and hyperpolarisabilities of three Ru(II) ammine complexes are computed at the density functional theory (DFT) and several correlated ab initio levels. Most accurate modelling of the low energy electronic absorption spectrum is obtained with the hybrid functiona...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
WILEY-VCH Verlag
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4068215/ https://www.ncbi.nlm.nih.gov/pubmed/24123546 http://dx.doi.org/10.1002/chem.201301380 |