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.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
Electric properties, Water
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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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.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
Neutrons, Neutron diffraction, Optical properties, Chemical properties, Proline
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Subjects list: Research, Analysis, Molecular dynamics, Hydrogen bonding, Hydrogen bonds, Structure
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