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Cooperative interaction of sodium and chlorine ions with β-cellobiose in aqueous solution from quantum mechanics and molecular dynamics

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Published in 2020 at "Cellulose"

DOI: 10.1007/s10570-020-03258-8

Abstract: Cellobiose is usually preferred as model compound of cellulose to explore its conversion mechanism, in which the first challenge is to acquire the molecular solvation mechanism. The interactions of β-cellobiose with the hydrated Na+ cation… read more here.

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