A DFT-based atomistic model of dry stratum corneum using NMF and glycerol reproduces FTIR fingerprint bands, identifies lipid-NMF coupled vibrations at 1120 and 1160 cm^{-1}, and predicts shear modulus matching literature values.
Verdier-S´ evrain and F
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An Atomistic First-Principles Density Functional Theory Model for Single Layer Dry \textit{Stratum Corneum}
A DFT-based atomistic model of dry stratum corneum using NMF and glycerol reproduces FTIR fingerprint bands, identifies lipid-NMF coupled vibrations at 1120 and 1160 cm^{-1}, and predicts shear modulus matching literature values.