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Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and (1)H-NMR Chemical Shifts
Detailed solvent and temperature effects on the experimental (1)H-NMR chemical shifts of the natural products chrysophanol (1), emodin (2), and physcion (3) are reported for the investigation of hydrogen bonding, solvation and conformation effects in solution. Very small chemical shift of │Δδ│ <...
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Izdano u: | Molecules |
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Glavni autori: | , , , , , |
Format: | Artigo |
Jezik: | Inglês |
Izdano: |
MDPI
2019
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Teme: | |
Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6631582/ https://ncbi.nlm.nih.gov/pubmed/31226776 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24122290 |
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