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The ability of tethered polymer layers to reduce the non-specific adsorption of proteins is studied using a molecular theory.
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The experimental results are interpreted by using a molecular viscoelasticity theory recently developed by Han and Kim.
The optimal size and structure of spontaneous liposomes formed from lipid/polymer-lipid mixtures was calculated using a molecular mean-field theory.
Jain, A. N. Surflex: Fully automatic flexible molecular docking using a molecular similarity-based search engine.
Instead, they used a "molecular clock".
The non-linear elastic moduli of the Graphene sheet-reinforced polymer composite are investigated using a combined molecular mechanics theory and continuum homogenisation tools.
The reducing potential of polyols and the easiness with which any metal salt can react to form reducible complexes has been evaluated using the orbital molecular theory and the results were experimentally verified.
When the effects of such side reactions on network structure parameters are properly taken into account, the elasticity results can be well explained using the recent molecular theory of Flory and Erman.
It is important to note that the thermal expansion coefficient values obtained in the present work are of the same order of magnitude as those calculated by other authors[12, 14] using the dynamic molecular theory.
The experimental observations are supported by quantum mechanical calculations using a density functional theory approach, where molecular interactions between LiCl and model ether, urethane, and urea compounds are investigated.
Equilibrium geometries, adsorption energies, atomic and molecular charges and electronic densities were obtained using a density functional theory method.
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