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Two-dimensional potential energy surface versus φ = H1′–C1′–O4–C4 and ψ = C1′–O4–C4–H4 dihedrals, given in degrees, calculated from the aqueous-phase simulations (left) and gas-phase simulations (right) of a) methyl β-maltoside, b) methyl α-cellobioside and c) methyl β-cellobioside. Potential energies are calculated from the natural logarithm of the relative probability and are given in kcal/mol.
