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Chirogenesis in Zinc Porphyrins: Theoretical Evaluation of Electronic Transitions, Controlling Structural Factors and Axial Ligation
In the present work, sixteen different zinc porphyrins (possessing different meso substituents) with and without a chiral guest were modelled using DFT and TD‐DFT approaches in order to understand the influence of various controlling factors on electronic circular dichroism (ECD) spectra. Two major...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457158/ https://www.ncbi.nlm.nih.gov/pubmed/34213815 http://dx.doi.org/10.1002/cphc.202100345 |