Orientational relaxation dynamics of liquid water studied by molecular dynamics simulation
Article Abstract:
The orientational relaxation dynamics of water molecules in the liquid state are studied using the TIP4P model. It is shown that the Voroni polyhedra structural analysis of configurations yield a structural index to identify the distinct local structures with respective orientational dynamics in liquid water. The slow relaxation in the ordered region is dependent on temperature while the fast relaxation is temperature independent.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Common features of orientational order at the temperature of maximum density for various water models: molecular dynamics study
Article Abstract:
Molecular dynamics simulations are used for obtaining the canonical ensembles for liquid water at various temperatures by using the TIP5P, TIP4P-FQ, TIP4P and SPC/E water models at a fixed density. The studies have suggested that the unique microscopic configuration of water molecules have caused temperature of maximum density (TMD) phenomenon in any water model.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Real-time dipole orientational imaging as a probe of ligand-protein interactions
Article Abstract:
The orientational dynamics of a fluorescently labeled ligand using single-molecule dipole imaging with real-time, 25 frames per second (fps) video-rate acquisition are investigated. By analysis of the dipole emission patterns of single tetramethylrodamine (TMR)-biocytin ligands, the angular trajectories of the dipole reorientations are determined.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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