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From @_arpan_Choudhry, @raghurama123 and @GhoshDebashree1 at @iacskolkata
https://t.co/URlER3dt0r
Exciting news! 🎉 Brilliant work by Arpan (@_arpan_Choudhry) from Debashree Ghosh's group (@GhoshDebashree1) accepted in Chem Comm.
"Structure Prediction from Spectra amidst Dynamical Heterogeneity in Melanin" (with KRR/#ML)
https://t.co/7w6O9kOfkr
Here is Arpan's (@_arpan_Choudhry) super cool work hot off ChemRxiv:
"Autonomous Assignment of Melanin Spectra amidst Dynamical Heterogeneity"
https://t.co/ezt60AqVBT
Happy to have contributed to this work with @GhoshDebashree1
Eumelanin is a versatile bio-polymer with a heterogeneous structure and atypical functionalities. The constituent parts of eumelanin can be used to engineer systems with spectacular properties. We described some design principles to accentuate the charge transfer properties.
@DrummerBoy2112 Non-planarity between monomers results in the lack of orbital overlap b/w the adjucent monomers, so "charge transfer (CT) via orbital overlap" is not expected in the oligomers. But, higher CT coupling is observed in presence of inter-monomer H-bonding.