Empirical nanotube model for biological applications
Article Abstract:
An empirical model is developed in order to capture the electrostatics of finite-length single-walled armchair carbon nanotubes for biological applications. It is found that atomic partial charges on the tube edges dominate the interaction between the nanotube and the entering water molecule and polarization of the nanotube lowers the electrostatic energy of the water molecule inside the tube.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Monte Carlo and modified Tanford-Kirkwood results for macromolecular electrostatics calculations
Article Abstract:
The understanding of electrostatic interactions is an essential aspect of the complex correlation between structure and function of biological macromolecules. By comparison to Monte Carlo simulations, it is shown that Tanford-Kirkwood (TK) predictions for the shifts in ion binding constants upon addition of salt become less reliable even at moderately macromolecular concentration.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Manipulating the optical properties of pyramidal nanoparticle arrays
Article Abstract:
The orientation-dependent optical properties of two-dimensional arrays of anisotropic metallic nanoparticles are described. The results have shown that arrays of aligned, pyramidal nanoparticles display orientation-dependent optical properties, which are sensitive to both the propagation wavevector and polarization direction.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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