Circular hydrogen bond networks on the surface of beta-ribofuranose in aqueous solution

Article Abstract:

The hydration structure on the surface of beta-ribofuranose in aqueous solution is examined using the ab initio molecular dynamics method is examined. The electronic properties of the first-hydration-shell water molecules and the OH groups of beta-ribofuranose is analyzed using the centers of their maximally localized Wannier functions.

Electric properties, Water

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Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction

Article Abstract:

The investigation of the local and mesoscale structure of aqueous L-proline amino acid were found to be comprised of populations of well-defined motifs assignable as H-bonded dimers and chains.

Neutrons, Neutron diffraction, Optical properties, Chemical properties, Proline

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