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CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach
We extend a recently proposed computational strategy for the simulation of absorption spectra of semi-rigid molecular systems in condensed phases to the emission spectra of flexible chromophores. As a case study, we have chosen the CPL spectrum of camphor in methanol solution, which shows a well-def...
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| Publicado no: | Front Chem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7358700/ https://ncbi.nlm.nih.gov/pubmed/32733856 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2020.00584 |
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