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First Principles Prediction of Wavelength-Dependent Product Quantum Yields
We present a method to predict wavelength-dependent product quantum yields (PQYs) for photochemical reactions and applied it to Z/E-isomerization and several ring-closing reactions of Z-2,5-dimethyl-1,3,5-hexatriene and truncated previtamin D. Using branching ratios from surface hopping molecular dy...
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| Publicado no: | J Phys Chem Lett |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6211794/ https://ncbi.nlm.nih.gov/pubmed/30048134 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b02048 |
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