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Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods
[Image: see text] The ability to accurately compute low-energy excited states of chlorophylls is critically important for understanding the vital roles they play in light harvesting, energy transfer, and photosynthetic charge separation. The challenge for quantum chemical methods arises both from th...
Gardado en:
| Publicado en: | J Phys Chem B |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American Chemical
Society
2020
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7584356/ https://ncbi.nlm.nih.gov/pubmed/32930590 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c05761 |
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