Temperature and concentration effects on Li(super +)-ion hydration. A molecular dynamics simulation study
Article Abstract:
The molecule dynamics simulations of aqueous LiCl solution were carried out over wide concentration and temperatures. The new ab initio-based exponential Li(super +)-H2O interaction potential gave the overall characteristic hydration properties in agreement with experiments.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
Industrial inorganic chemicals, not elsewhere classified, Lithium Compounds, Chemistry, Physical and theoretical, Physical chemistry, Chlorine compounds, Aqueous solution reactions, Atomic properties
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Molecular dynamics investigation of (super23)Na NMR relaxation in oligomeric DNA aqueous solution
Article Abstract:
The magnetic relaxation process of (super23)Na is studied. An 8 ns molecular dynamics (MD) simulation is carried out on an oligomeric DNA duplex in a minimal salt sodium aqueous solution.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Biological Product (except Diagnostic) Manufacturing, Drugs, Deoxyribonucleic Acid, Potassium & Sodium Compounds, Sodium & Sodium Compounds, DNA, Molecular dynamics, Sodium compounds
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Subjects list: Research
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